SCHEMBL7709290

SCHEMBL7709290

CSC1(SC)CCOc2cc(C(O)C#Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.41
RARG P13631 15/20 0.41
RARA P10276 13/20 0.41
CYP26A1 O43174 2/20 0.41
CYP3A4 P08684 2/20 0.41
CRABP2 P29373 1/20 0.41
RXRA P19793 3/20 0.38
CYP26B1 Q9NR63 1/20 0.36
RXRB P28702 1/20 0.35
HNF4A P41235 1/20 0.35
ACACB O00763 1/20 0.33

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
SCHEMBL7709229 0.92 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715307 0.89 RARB (0.38) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713112 0.89 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709302 0.87 KDM4C (0.32) ACACB
SCHEMBL7715091 0.82 RARB (0.42) RARBRARGRARACYP3A4ACACB
SCHEMBL7715267 0.81 CA12 (0.35) ACACB
SCHEMBL8681441 0.79 NPC1 (0.33) RARBRARGRARA
SCHEMBL7713267 0.79 ACACB (0.33) RARBRARGRARAACACB
SCHEMBL6338053 0.79 RARB (0.34) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9817651 0.79 RARB (0.53) RARBRARGRARACYP26A1CYP3A4

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