SCHEMBL8327478

SCHEMBL8327478

C#Cc1cc(-c2ccc3c(c2)C(c2nc(C)c(C)s2)=CCC3(C)C)ccc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 16/20 0.40
RARG P13631 15/20 0.40
RARA P10276 15/20 0.40
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL8329074 0.87 RARB (0.37) RARBRARGRARANPC1CASP3
SCHEMBL8331408 0.87 RARB (0.37) RARBRARGRARANPC1RAB9A
SCHEMBL8329764 0.85 RARB (0.49) RARBRARGRARANPC1RAB9A
SCHEMBL6237093 0.78 RARA (0.53) RARBRARGRARA
SCHEMBL27554945 0.74 RARB (0.45) RARBRARGRARANPC1RAB9A
SCHEMBL9007121 0.71 RARA (0.43) RARBRARGRARANPC1CASP3
SCHEMBL9007048 0.70 RARA (0.37) RARBRARGRARANPC1CASP3
SCHEMBL8331925 0.69 RARA (0.48) RARBRARGRARANPC1CASP3
SCHEMBL6242265 0.69 RARA (0.66) RARBRARGRARA
SCHEMBL8331061 0.68 RARB (0.49) RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed