SCHEMBL6664862

SCHEMBL6664862

CSc1cc2c(cc1C#Cc1cnc(CC(=O)O)nc1)C(SC)(SC)CCO2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30

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
SCHEMBL9304106 0.88 NPC1 (0.33)
SCHEMBL9302230 0.88 PTGER4 (0.31)
SCHEMBL7650613 0.88
SCHEMBL7657204 0.84 CYP26A1 (0.31) CYP26A1CYP26B1
SCHEMBL9301245 0.84
SCHEMBL6665587 0.84 CYP26A1 (0.38) CYP26A1CYP26B1
SCHEMBL6663862 0.83
SCHEMBL6669251 0.83 CYP26A1 (0.34) CYP26A1CYP26B1
SCHEMBL6670509 0.82 RXRA (0.38) CYP26A1CYP26B1
SCHEMBL6667778 0.81 NPC1 (0.31)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US claimed
EP-0785782-B1 USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY ALLERGAN INC (US) 2004-09-08 EP disclosed
US-5602130-A ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION ALLERGAN 1997-02-11 US disclosed
US-5380877-A Psoriasis treatment; retinoic acid-like activity ALLERGAN, INC. (US) 1995-01-10 US disclosed
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
EP-0284288-B1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1992-05-27 EP disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0284288-A1 Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed