SCHEMBL7709286

SCHEMBL7709286

CC1(C)CCSc2cc(C(O)C#Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.52
CYP3A4 P08684 3/20 0.52
RARB P10826 16/20 0.51
RARG P13631 16/20 0.51
RARA P10276 15/20 0.51
CRABP2 P29373 1/20 0.51
RXRA P19793 3/20 0.47
RXRB P28702 1/20 0.45
CYP26B1 Q9NR63 1/20 0.44

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
SCHEMBL7709227 0.92 CYP3A4 (0.59) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7715303 0.89 RARA (0.48) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7713109 0.88 CYP3A4 (0.66) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7709298 0.86 RARB (0.44) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL6378967 0.84 RARB (0.68) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9007043 0.84 RARB (0.67) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL8681439 0.81 RARB (0.41) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7713134 0.81 RARB (0.74) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7715088 0.81 RARA (0.56) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9143255 0.80 RARB (0.57) CYP26A1CYP3A4RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US claimed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP claimed
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed