SCHEMBL8795191

SCHEMBL8795191

Cc1ccc2c(c1)C(CC(=O)O)(C(=O)O)CCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.49
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8792995 0.85 AKR1B1 (0.50) AKR1B1TSHRHTTKMT2AALDH1A1
SCHEMBL8794218 0.84 AKR1B1 (0.49) AKR1B1HTTL3MBTL1KMT2AALDH1A1
SCHEMBL8793940 0.84 AKR1B1 (0.49) AKR1B1TSHRKMT2AALDH1A1CYP26A1
SCHEMBL8794472 0.84 AKR1B1 (0.49) AKR1B1TSHRKMT2AALDH1A1CYP26A1
SCHEMBL8792757 0.84 AKR1B1 (0.49) AKR1B1KMT2AALDH1A1CYP26A1CYP26B1
SCHEMBL8794386 0.84 AKR1B1 (0.70) AKR1B1MAPT
SCHEMBL8793923 0.83 AKR1B1 (0.46) AKR1B1TSHRKMT2AALDH1A1CTNNB1
SCHEMBL167946 0.80 AKR1B1 (0.47) AKR1B1TSHRHTTKMT2AALDH1A1
SCHEMBL29579029 0.80 AKR1B1 (0.47) AKR1B1TSHRHTTKMT2AALDH1A1
SCHEMBL8794542 0.80 AKR1B1 (0.52) AKR1B1HTTKMT2AALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed