SCHEMBL7714910

SCHEMBL7714910

CC1(C)CCC(C)(C)c2cc(C(=O)C#Cc3ccc(C(=O)O)c(O)c3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.58
RARG P13631 11/20 0.58
RARA P10276 9/20 0.58
CYP26A1 O43174 4/20 0.58
CYP3A4 P08684 3/20 0.58
CRABP2 P29373 1/20 0.58
RXRA P19793 11/20 0.49
RXRB P28702 7/20 0.49
RXRG P48443 4/20 0.49
CYP26B1 Q9NR63 2/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 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
SCHEMBL7717535 0.88 CYP3A4 (0.52) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7746411 0.87 RXRA (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342932 0.86 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7751118 0.86 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6373022 0.85 RARB (0.75) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713111 0.85 CYP3A4 (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715323 0.83 RARB (0.80) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6378170 0.79 RARB (0.52) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8683606 0.79 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7751295 0.78 RARB (0.51) 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