SCHEMBL6665869

SCHEMBL6665869

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2SC)OCCC3(SC)SC)s1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL7651235 0.91 CYP4F2 (0.30) CYP4F2CYP4A11
SCHEMBL7651225 0.88
SCHEMBL6668884 0.86 CYP3A4 (0.32) CYP4F2CYP4A11
SCHEMBL6666483 0.85 RXRA (0.35) CYP4F2CYP4A11
SCHEMBL6667812 0.84 CYP4F2 (0.30) CYP4F2CYP4A11
SCHEMBL6668356 0.83
SCHEMBL6667778 0.82 NPC1 (0.31)
SCHEMBL6668281 0.82 CYP3A4 (0.33)
SCHEMBL6664869 0.81 AKR1B1 (0.31)
SCHEMBL6668134 0.81 NPC1 (0.30)

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
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-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