SCHEMBL7635148

SCHEMBL7635148

CC1(C)CC=C(c2nccs2)c2ccc(C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 19/20 0.58
RARG P13631 19/20 0.58
RARA P10276 18/20 0.58
CYP26A1 O43174 1/20 0.48
CYP3A4 P08684 1/20 0.48
CRABP2 P29373 1/20 0.48

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
SCHEMBL6238278 0.92 RARA (0.69) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7638748 0.87 RARA (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7633676 0.80 RARA (0.83) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6235399 0.79 RARA (0.53) RARBRARGRARACYP3A4
SCHEMBL6292457 0.79 RARA (0.66) RARBRARGRARA
SCHEMBL6292461 0.79 RARA (0.66) RARBRARGRARA
SCHEMBL8326970 0.78 RARA (0.54) RARBRARGRARA
SCHEMBL7642585 0.78 RARB (0.84) RARBRARGRARA
SCHEMBL7642223 0.77 RARA (0.61) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8981564 0.77 RARA (0.70) RARBRARGRARACYP26A1CYP3A4

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 5 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-5648514-A Substituted acetylenes having retinoid-like biological activity ALLERGAN (US) 1997-07-15 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