SCHEMBL31139

SCHEMBL31139

C=CCNCCCNCC(=O)OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
LTA4H P09960 3/20 0.34
MGLL Q99685 1/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL862004 0.82 LTA4H (0.43) KDM4EALDH1A1KMT2AGAANPC1
SCHEMBL10778073 0.74 TSHR (0.41) ALDH1A1KMT2AGAATSHRLTA4H
SCHEMBL29254239 0.74 ACHE (0.38) KDM4EALDH1A1KMT2ATSHRLMNA
SCHEMBL10868696 0.73 ADRA2A (0.50) KDM4EALDH1A1GAARAB9ATSHR
SCHEMBL7774719 0.73 TSHR (0.50) ALDH1A1GAARAB9ATSHRLMNA
SCHEMBL15440833 0.73 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AGAANPC1
SCHEMBL3435875 0.73 MAPT (0.42) KDM4EALDH1A1KMT2AGAANPC1
SCHEMBL8824199 0.73 TSHR (0.36) KDM4EALDH1A1GAATSHRHTT
Hydrochloric Acid SCHEMBL9695174 0.71 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL11665511 0.70 GAA (0.36) KDM4EALDH1A1KMT2AGAANPC1

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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213389-A1 EMULSIONS FOR USE IN AIR FRESHENERS DEVICES SYMRISE AG (DE) 2023-11-09 WO disclosed
WO-2020233773-A1 OIL-IN-WATER MACROEMULSION SYMRISE AG (DE) 2020-11-26 WO disclosed
WO-2020234196-A1 OIL-IN-WATER MACROEMULSION SYMRISE AG (DE) 2020-11-26 WO disclosed
EP-3651729-A1 WATER-RESISTANT COSMETIC MEANS FOR TEMPORARILY CHANGING THE COLOUR OF KERATIN-CONTAINING MATERIALS I Henkel AG & Co. KGaA (DE) 2020-05-20 EP disclosed
EP-3621575-A1 TOOTH PASTE CONTAINING BAMBOO-BASED CELLULOSE AND PRECIPITATED SILICIC ACID Henkel AG & Co. KGaA (DE) 2020-03-18 EP disclosed
WO-2019011697-A1 WATER-RESISTANT COSMETIC MEANS FOR TEMPORARILY CHANGING THE COLOUR OF KERATIN-CONTAINING MATERIALS I HENKEL AG & CO. KGAA (DE) 2019-01-17 WO disclosed
WO-2018206447-A1 TOOTH PASTE CONTAINING BAMBOO-BASED CELLULOSE AND PRECIPITATED SILICIC ACID HENKEL AG & CO. KGAA (DE) 2018-11-15 WO disclosed
CN-104853735-B For the autoxidizable reduction of the reagent of the oxidising dyeing and/or blast of keratin fiber 汉高股份有限及两合公司 2018-06-08 CN disclosed
EP-3324927-A1 STABILIZING MIXTURE Henkel AG & Co. KGaA (DE) 2018-05-30 EP disclosed
CN-107669503-A The purposes of silane and (diphenyl) pyrrolotriazine derivatives of siloxanes two as UV absorbents 巴斯夫欧洲公司 2018-02-09 CN disclosed
EP-0938369-A2 EMULSIFIER MIXTURES AND THEIR USE FOR PREPARING PIT EMULSIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1999-09-01 EP disclosed
EP-0927020-A1 PROCESS AND AGENTS FOR PERMANENTLY SHAPING KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 1999-07-07 EP disclosed
WO-1998009606-A1 PROCESS AND AGENTS FOR PERMANENTLY SHAPING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-03-12 WO disclosed
WO-1998009721-A2 EMULSIFIER MIXTURES AND THEIR USE FOR PREPARING PIT EMULSIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-03-12 WO disclosed
EP-0785765-A1 AGENT AND PROCESS FOR PERMANENTLY SHAPING KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 1997-07-30 EP disclosed
WO-1996010986-A1 AGENT AND PROCESS FOR PERMANENTLY SHAPING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-04-18 WO disclosed
WO-1996007394-A1 PROCESS AND AGENT FOR PERMANENT SHAPING OF KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-03-14 WO disclosed
EP-0662814-A1 HAIR TREATMENT AGENT. HENKEL KGAA (DE) 1995-07-19 EP disclosed
WO-1994007455-A1 HAIR TREATMENT AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-04-14 WO disclosed
WO-1990008531-A2 SURFACE ACTIVE MIXTURES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-08-09 WO disclosed