SCHEMBL7656413

SCHEMBL7656413

CCCCCCc1cc2c(cc1C#Cc1cnc(CC(=O)O)cn1)C(CC)(CC)CCO2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
PPARA Q07869 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
SCHEMBL6668368 0.91 PTGDR2 (0.36) PTGDR2PPARA
SCHEMBL7656526 0.90
SCHEMBL8659451 0.90 PTGDR2 (0.31) PTGDR2
SCHEMBL7653907 0.88 ALDH1A1 (0.34) PTGDR2
SCHEMBL7655942 0.87 PTGDR2 (0.31) PTGDR2PPARA
SCHEMBL7653191 0.86 PPARG (0.30) PPARA
SCHEMBL7652229 0.86 PRKCA (0.32) PTGDR2
SCHEMBL8898858 0.85
SCHEMBL7648986 0.85
SCHEMBL7653187 0.85 PTGDR2 (0.35) PTGDR2

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
US-6344463-B1 SKIN DISORDERS, ACNE ALLERGAN SALES, INC. 2002-02-05 US disclosed
EP-0636127-B1 Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN INC (US) 2001-04-04 EP disclosed
US-6090826-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
US-5468879-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1995-11-21 US disclosed
EP-0636127-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1995-02-01 EP disclosed
US-5264578-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1993-11-23 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed