SCHEMBL7713243

SCHEMBL7713243

COC(=O)c1cc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
CYP26A1 O43174 5/20 0.43
CYP26B1 Q9NR63 1/20 0.43
RXRA P19793 3/20 0.41
RARB P10826 7/20 0.41
RARG P13631 7/20 0.41
RARA P10276 6/20 0.41
RXRB P28702 2/20 0.39
CRABP2 P29373 1/20 0.37
PPARG P37231 4/20 0.36
ALDH1A1 P00352 2/20 0.34
RXRG P48443 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
SCHEMBL8608801 0.88 RXRA (0.49) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7715161 0.83 CYP3A4 (0.54) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7715073 0.79 RARG (0.42) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7714935 0.79 RARB (0.42) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7713075 0.78 RXRA (0.41) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7715178 0.78 RARG (0.41) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7709262 0.77 RXRA (0.43) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7709277 0.75 RXRA (0.49) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL6378967 0.74 RARB (0.68) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7713047 0.74 RARG (0.48) CYP3A4CYP26A1CYP26B1RXRARARB

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