SCHEMBL7748804

SCHEMBL7748804

CCCCCC(OC(CCCCC)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.56
FFAR1 O14842 1/20 0.56
MAPT P10636 1/20 0.54
LCK P06239 1/20 0.54
PPARD Q03181 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
CA1 P00915 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CA2 P00918 2/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL3281637 0.98 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29832806 0.98 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28654434 0.98 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3282666 0.98 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2573721 0.93 CA2 (0.54) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11390690 0.90 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11861521 0.88 GPR84 (0.56) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29165517 0.87 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27670297 0.87 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2137285 0.86 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103969314-B Multi-parameter ionic sensor and preparation method thereof, as well as multi-parameter ionic sensor chip and monitoring system 中国农业科学院农业信息研究所 2017-02-15 CN disclosed
US-6255497-B1 DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. 2001-07-03 US disclosed
EP-0592583-B1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2001-01-31 EP disclosed
US-5886028-A REDUCING ALCOHOL CONSUMPTION BY ADMINISTERING AN ENZYME INHIBITOR THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-03-23 US disclosed
US-5624910-A INHIBITING ALDEHYDE DEHYRDOGENASE ACTIVITY USING DAIDZIN THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1997-04-29 US disclosed
EP-0592583-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1994-04-20 EP disclosed
WO-1993000896-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1993-01-21 WO disclosed