SCHEMBL7713112

SCHEMBL7713112

CSC1(SC)CCOc2ccc(C#CC(O)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.41
RARG P13631 14/20 0.41
RARA P10276 11/20 0.41
CYP26A1 O43174 3/20 0.41
CYP3A4 P08684 3/20 0.41
CRABP2 P29373 1/20 0.41
RXRA P19793 3/20 0.36
ACACB O00763 1/20 0.36
CYP26B1 Q9NR63 1/20 0.34
RXRB P28702 1/20 0.34
HNF4A P41235 1/20 0.34

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 0.95 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709290 0.89 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9817651 0.88 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713267 0.85 ACACB (0.33) RARBRARGRARAACACB
SCHEMBL7715091 0.84 RARB (0.42) RARBRARGRARACYP3A4ACACB
SCHEMBL8458478 0.83 RXRA (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1271404 0.81 CYP3A4 (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL181636 0.81 GPR84 (0.34)
SCHEMBL20636875 0.80 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709302 0.80 KDM4C (0.32) ACACB

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 4 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