SCHEMBL6668402

SCHEMBL6668402

Cc1cc2c(cc1SC#C[Si](C)(C)C)C(C)(C)CCO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
RXRA P19793 1/20 0.31
HNF4A P41235 1/20 0.31

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
SCHEMBL6668004 0.83 RARA (0.34) RARARARBRARGCYP26A1CYP26B1
SCHEMBL6665611 0.77 RARA (0.37) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9006928 0.77 RARA (0.33) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9190889 0.73 RARA (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8081756 0.69 RARA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9054621 0.69 RARA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL6226479 0.69 RARA (0.41) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9053228 0.66 RARA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9055810 0.66 RARA (0.40) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9850270 0.65 RXRA (0.55) RARARARBRARGCYP26A1CYP26B1

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 7 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
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed