SCHEMBL7715178

SCHEMBL7715178

COC(=O)c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.41
RARB P10826 8/20 0.41
RARA P10276 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP26A1 O43174 5/20 0.41
CRABP2 P29373 1/20 0.41
RXRA P19793 4/20 0.41
CYP26B1 Q9NR63 1/20 0.41
RXRB P28702 1/20 0.38
PPARG P37231 2/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL7714935 0.89 RARB (0.42) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7715073 0.89 RARG (0.42) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7709226 0.89 RARG (0.49) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7715161 0.84 CYP3A4 (0.54) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7713047 0.81 RARG (0.48) RARGRARBRARACYP3A4CYP26A1
SCHEMBL6159273 0.79 RARB (0.50) RARGRARBRARACYP3A4CYP26A1
SCHEMBL1991598 0.79 RARB (0.50) RARGRARBRARACYP3A4CYP26A1
SCHEMBL6260318 0.79 RARB (0.50) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7713243 0.78 CYP3A4 (0.43) RARGRARBRARACYP3A4CYP26A1
SCHEMBL7713075 0.78 RXRA (0.41) RARGRARBRARACYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed