SCHEMBL7637191

SCHEMBL7637191

CCOC(=O)CC1(O)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)OCC)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.53
RARA P10276 11/20 0.53
RARG P13631 10/20 0.53
CYP3A4 P08684 5/20 0.53
CYP26A1 O43174 3/20 0.53
CRABP2 P29373 1/20 0.53
KMT2A Q03164 1/20 0.49
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL7640535 0.96 RARB (0.53) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7639400 0.92 RARB (0.65) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7640480 0.91 RARB (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL7640476 0.88 RARB (0.45) RARBRARARARGCYP3A4CYP26A1
SCHEMBL9484975 0.88 RARB (0.67) RARBRARARARGCYP3A4CYP26A1
SCHEMBL9058220 0.88 RARB (0.65) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6297429 0.81 MAPT (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6297432 0.81 MAPT (0.46) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6236817 0.78 RARB (0.49) RARBRARARARGCYP3A4CYP26A1
SCHEMBL5737002 0.78 RARB (0.52) 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 11 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-5654469-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-08-05 US 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