SCHEMBL7640535

SCHEMBL7640535

CCOC(=O)CC1(O)CCC(C)(C)c2ccc(C#Cc3ccc(C(=O)OCC)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.53
RARA P10276 10/20 0.53
RARG P13631 9/20 0.53
CYP3A4 P08684 6/20 0.53
CYP26A1 O43174 4/20 0.53
CRABP2 P29373 1/20 0.53
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.39
MMP13 P45452 1/20 0.39
CYP26B1 Q9NR63 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
SCHEMBL7637191 0.96 RARB (0.53) RARBRARARARGCYP3A4CYP26A1
SCHEMBL9058220 0.92 RARB (0.65) RARBRARARARGCYP3A4CYP26A1
SCHEMBL9484975 0.88 RARB (0.67) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7639400 0.88 RARB (0.65) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7640480 0.87 RARB (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6297429 0.85 MAPT (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6297432 0.85 MAPT (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7640476 0.84 RARB (0.45) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6292622 0.78 RARB (0.40) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6236817 0.78 RARB (0.49) RARBRARARARGCYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355806-B1 REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, AGENTS FOR TREATING SKIN-RELATED DISEASES ALLERGEN SALES, INC. 2002-03-12 US disclosed
US-5998471-A SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. (US) 1999-12-07 US disclosed
US-5808083-A Acetylenes disubstituted with a 5 alkyl, aryl or heteroaryl substituted dihydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN (US) 1998-09-15 US disclosed
US-5723620-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN (US) 1998-03-03 US disclosed
EP-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 EP disclosed
US-5648514-A Substituted acetylenes having retinoid-like biological activity ALLERGAN (US) 1997-07-15 US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 US disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed