SCHEMBL7637331

SCHEMBL7637331

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.67
RARG P13631 20/20 0.67
RARA P10276 16/20 0.67
CYP26A1 O43174 1/20 0.67
CYP3A4 P08684 1/20 0.67
CRABP2 P29373 1/20 0.67
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47

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
SCHEMBL5737254 0.90 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9003132 0.88 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7688234 0.85 RARB (0.47) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7688235 0.85 RARB (0.47) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7636118 0.83 RARB (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8671861 0.83 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8772593 0.82 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8850861 0.82 RARB (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8668169 0.81 RARB (0.56) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.81 RARB (1.00) 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 8 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
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-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