SCHEMBL6668880

SCHEMBL6668880

CCOC(=O)CCCCc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.54
RARG P13631 11/20 0.54
RARA P10276 10/20 0.54
CYP3A4 P08684 3/20 0.54
KMT2A Q03164 2/20 0.54
CYP26A1 O43174 2/20 0.44
RXRA P19793 2/20 0.36
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CRABP2 P29373 1/20 0.32
HPGD P15428 1/20 0.32
SSTR5 P35346 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 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
SCHEMBL9265069 0.88 RARB (0.44) RARBRARGRARACYP3A4KMT2A
SCHEMBL6665864 0.87 RARA (0.39) RARBRARGRARACYP3A4KMT2A
SCHEMBL6666479 0.87 RARA (0.39) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817849 0.86 RARB (0.58) RARBRARGRARACYP3A4KMT2A
SCHEMBL6666476 0.84 RARB (0.38) RARBRARGRARACYP3A4KMT2A
SCHEMBL6665048 0.84 RARA (0.37) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817773 0.84 RARA (0.55) RARBRARGRARACYP3A4KMT2A
SCHEMBL6665899 0.84 RARB (0.62) RARBRARGRARACYP3A4KMT2A
SCHEMBL6668823 0.83 RARB (0.53) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817673 0.83 RARB (0.58) RARBRARGRARACYP3A4KMT2A

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 9 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-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