(2E)-Hexenoic Acid

(2E)-Hexenoic Acid

SCHEMBL3048610

CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.OO

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GABRR1 P24046 2/20 0.50
GABRR2 P28476 2/20 0.50
BLM P54132 2/20 0.50
GABRR3 A8MPY1 1/20 0.50
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
PTPN1 P18031 1/20 0.47
HCAR2 Q8TDS4 5/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
(2E)-Hexenoic Acid SCHEMBL23615 1.00
(2E)-Hexenoic Acid SCHEMBL27373174 1.00 TSHR (0.50) TSHRGABRR1GABRR2BLMGABRR3
(2Z)-Hexenoic Acid SCHEMBL3504637 1.00
(2E)-Hexenoic Acid SCHEMBL23614 1.00
(2E)-Hexenoic Acid SCHEMBL28766026 0.97 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
(2E)-Hexenoic Acid SCHEMBL7927817 0.97
(2E)-Hexenoic Acid SCHEMBL29017251 0.97 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
(2E)-Hexenoic Acid SCHEMBL10522058 0.97 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
(2E)-Hexenoic Acid SCHEMBL29041595 0.97 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
(2E)-Hexenoic Acid SCHEMBL28532321 0.97 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119559-A1 Topically active agents to remove actinic keratoses and basal (BCC) and squamous (SCC) cell carcinomas using a combination of sulindac, its metabolites and derivatives with an oxidizing agent to generate reactive oxygen species nontoxic to normal cells; sulindac methionine sulfoxide/hydrogen peroxide FLORIDA ATLANTIC UNIVERSITY (US) 2008-05-22 US claimed
EP-1865972-A2 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2007-12-19 EP claimed
US-20060235080-A1 Treatment or prevention of cancer and precancerous disorders FLORIDA ATLANTIC UNIVERSITY (US) 2006-10-19 US claimed
WO-2006102439-A2 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2006-09-28 WO claimed
CN-115087871-A Fatty acid quantification device and method 纽卓索斯医药和营养服务公司 2022-09-20 CN disclosed
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
US-8765808-B2 Treatment or prevention of cancer and precancerous disorders CHS PHARMA, INC. (US) 2014-07-01 US disclosed
US-8603985-B2 Treatment or prevention of cancer and precancerous disorders CHS Pharma, Inc (US) 2013-12-10 US disclosed
EP-1865972-B1 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS CHS PHARMA INC (US) 2013-11-06 EP disclosed
US-8357720-B2 Treatment or prevention of cancer and precancerous disorders FLORIDA ATLANTIC UNIVERSITY (US) 2013-01-22 US disclosed
US-8258181-B2 Topically active agents to remove actinic keratoses and basal (BCC) and squamous (SCC) cell carcinomas using a combination of sulindac, its metabolites and derivatives with an oxidizing agent to generate reactive oxygen species nontoxic to normal cells; sulindac methionine sulfoxide/hydrogen peroxide FLORIDA ATLANTIC UNIVERSITY (US) 2012-09-04 US disclosed
US-20100260864-A1 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2010-10-14 US disclosed
US-20100069331-A1 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2010-03-18 US disclosed
US-20080119559-A1 Topically active agents to remove actinic keratoses and basal (BCC) and squamous (SCC) cell carcinomas using a combination of sulindac, its metabolites and derivatives with an oxidizing agent to generate reactive oxygen species nontoxic to normal cells; sulindac methionine sulfoxide/hydrogen peroxide FLORIDA ATLANTIC UNIVERSITY (US) 2008-05-22 US disclosed
EP-1865972-A2 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2007-12-19 EP disclosed
US-20060235080-A1 Treatment or prevention of cancer and precancerous disorders FLORIDA ATLANTIC UNIVERSITY (US) 2006-10-19 US disclosed
WO-2006102439-A2 TREATMENT OR PREVENTION OF CANCER AND PRECANCEROUS DISORDERS FLORIDA ATLANTIC UNIVERSITY (US) 2006-09-28 WO disclosed
WO-2003068324-A1 ORGANIC CONTAMINANT REMOVAL FROM SLUDGE BY TARGETED CATALYSIS MOTSENBOCKER MARVIN (US) 2003-08-21 WO disclosed
US-5563132-A Two-step cancer treatment method BODANESS RICHARD S (US) 1996-10-08 US disclosed