SCHEMBL7640552

SCHEMBL7640552

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.67
RARG P13631 20/20 0.67
RARA P10276 18/20 0.67
CYP26A1 O43174 1/20 0.67
CYP3A4 P08684 1/20 0.67
CRABP2 P29373 1/20 0.67

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
SCHEMBL7642401 0.90 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7636138 0.86 CYP3A4 (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6292577 0.85 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8836702 0.84 RARB (0.60) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6236817 0.83 RARB (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8772690 0.82 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8836860 0.82 RARB (0.60) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.81 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3302926 0.81 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8771700 0.81 RXRA (0.67) RARBRARGRARACYP26A1

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 16 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
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 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-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5618943-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed
US-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed
US-5605915-A TREATING SKIN DISORDERS ALLERGAN 1997-02-25 US disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 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
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed