SCHEMBL7641992

SCHEMBL7641992

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)=CCC3(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.56
RARB P10826 18/20 0.56
RARG P13631 18/20 0.56
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 1/20 0.48
CYP26A1 O43174 1/20 0.43
CRABP2 P29373 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7637519 0.91 RARA (0.50) RARARARBRARGCYP3A4KMT2A
SCHEMBL8683642 0.89 RARA (0.57) RARARARBRARGCYP3A4KMT2A
SCHEMBL7639304 0.87 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL7639318 0.87 RARA (0.53) RARARARBRARGCYP3A4KMT2A
SCHEMBL7637362 0.86 RARA (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL27462053 0.86 RARA (0.53) RARARARBRARGCYP3A4KMT2A
SCHEMBL7805699 0.86 RARA (0.60) RARARARBRARGCYP3A4KMT2A
SCHEMBL8772538 0.86 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL8772613 0.86 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL8902713 0.86 RARA (0.52) RARARARBRARGCYP3A4KMT2A

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 6 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
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
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