SCHEMBL6419793

SCHEMBL6419793

CC(C)CNc1c(-c2ccc(C(C)(C)C)cc2)cc(C(O)C#Cc2ccc(C(=O)OC(C#Cc3ccc(C(=O)O)cc3)c3cc(-c4ccc(C(C)(C)C)cc4)c(N(C)Cc4ccccc4)c(C(C)(C)C)c3)cc2)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
MTTP P55157 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR1H4 Q96RI1 2/20 0.30

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
SCHEMBL6424175 0.91 PTGES (0.32) PTGESALOX5
SCHEMBL6424171 0.87 PTGES (0.34) PTGESALOX5RARBRARGNR1H4
SCHEMBL1406441 0.86 RARB (0.42) PTGESALOX5RARBRARGMTTP
SCHEMBL1406342 0.85 RARB (0.44) PTGESALOX5RARBRARGNR1H4
SCHEMBL6419796 0.81 RAB9A (0.37) RARBRARGKDM4EALDH1A1CYP1A2
SCHEMBL1406549 0.80 TAS2R14 (0.36) PTGESALOX5RARBRARG
SCHEMBL1406741 0.80 RARB (0.42) PTGESALOX5RARBRARGNR1H4
SCHEMBL1406443 0.79 RAB9A (0.41) PTGESALOX5RARBRARGNR1H4
SCHEMBL1406661 0.79 RARB (0.44) PTGESALOX5RARBRARGNR1H4
SCHEMBL1407006 0.79 RARG (0.35) RARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed