SCHEMBL7715088

SCHEMBL7715088

COC(=O)c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCS3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 11/20 0.56
▸ RARB P10826 11/20 0.56
▸ RARG P13631 11/20 0.56
▸ CYP3A4 P08684 7/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP26A1 O43174 5/20 0.49
▸ RXRA P19793 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CRABP2 P29373 1/20 0.36

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
SCHEMBL7715303 0.92 RARA (0.48) RARARARBRARGCYP3A4KMT2A
SCHEMBL7709227 0.89 CYP3A4 (0.59) RARARARBRARGCYP3A4KMT2A
SCHEMBL7713085 0.87 RARA (0.45) RARARARBRARGCYP3A4KMT2A
SCHEMBL7715161 0.85 CYP3A4 (0.54) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7713109 0.83 CYP3A4 (0.66) RARARARBRARGCYP3A4KMT2A
SCHEMBL7709286 0.81 CYP26A1 (0.52) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7713266 0.79 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL7715173 0.79 RARA (0.40) RARARARBRARGCYP3A4KMT2A
SCHEMBL7414449 0.77 RARB (0.71) RARARARBRARGCYP3A4KMT2A
SCHEMBL7709282 0.76 RARA (0.43) RARARARBRARGCYP3A4KMT2A

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
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