SCHEMBL7635706

SCHEMBL7635706

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)nc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.67
RARA P10276 14/20 0.67
RARG P13631 12/20 0.67
CYP3A4 P08684 3/20 0.67
KMT2A Q03164 1/20 0.67
CYP26A1 O43174 2/20 0.49
CRABP2 P29373 1/20 0.39
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7642408 0.93 RARB (0.69) RARBRARARARGCYP3A4KMT2A
SCHEMBL6236817 0.88 RARB (0.49) RARBRARARARGCYP3A4KMT2A
SCHEMBL7636138 0.86 CYP3A4 (0.62) RARBRARARARGCYP3A4KMT2A
SCHEMBL9270697 0.86 CYP3A4 (0.77) RARBRARARARGCYP3A4KMT2A
SCHEMBL8669861 0.83 RARB (0.72) RARBRARARARGCYP3A4KMT2A
SCHEMBL9333830 0.82 RARB (0.86) RARBRARARARGCYP3A4KMT2A
SCHEMBL7642046 0.81 RARB (0.67) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL3134 0.80 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL5747908 0.80 RARA (1.00) RARBRARARARGCYP3A4KMT2A
SCHEMBL1485972 0.80 RARA (0.70) RARBRARARARGCYP3A4KMT2A

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 15 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
US-5654469-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-08-05 US disclosed
US-5648503-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN (US) 1997-07-15 US disclosed
US-5648514-A Substituted acetylenes having retinoid-like biological activity ALLERGAN (US) 1997-07-15 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
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 US disclosed