SCHEMBL7633641

SCHEMBL7633641

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 20/20 0.50
RARB P10826 19/20 0.50
RARG P13631 19/20 0.50
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP26A1 O43174 1/20 0.38
CRABP2 P29373 1/20 0.38

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
SCHEMBL7637269 0.92 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL7639318 0.89 RARA (0.53) RARARARBRARGCYP3A4KMT2A
SCHEMBL7805699 0.88 RARA (0.60) RARARARBRARGCYP3A4KMT2A
SCHEMBL7635015 0.88 RARB (0.61) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7641992 0.84 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL8683642 0.83 RARA (0.57) RARARARBRARGCYP3A4KMT2A
SCHEMBL7640504 0.81 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL7639304 0.81 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL7633717 0.81 RARA (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL7637426 0.80 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