SCHEMBL7709262

SCHEMBL7709262

COC(=O)c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.43
RARB P10826 10/20 0.43
RARG P13631 10/20 0.43
RARA P10276 8/20 0.43
RXRB P28702 7/20 0.40
CYP3A4 P08684 6/20 0.40
RXRG P48443 6/20 0.40
CYP26A1 O43174 5/20 0.40
CYP26B1 Q9NR63 1/20 0.40
CRABP2 P29373 1/20 0.36
PPARG P37231 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
SCHEMBL8608202 0.90 RXRA (0.51) RXRARARBRARGRARARXRB
SCHEMBL7715161 0.80 CYP3A4 (0.54) RXRARARBRARGRARARXRB
SCHEMBL7709277 0.77 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL7714935 0.77 RARB (0.42) RXRARARBRARGRARARXRB
SCHEMBL7713243 0.77 CYP3A4 (0.43) RXRARARBRARGRARARXRB
SCHEMBL7715073 0.77 RARG (0.42) RXRARARBRARGRARARXRB
SCHEMBL7715178 0.76 RARG (0.41) RXRARARBRARGRARARXRB
SCHEMBL7713075 0.76 RXRA (0.41) RXRARARBRARGRARARXRB
SCHEMBL8100714 0.73 RARB (0.40) RXRARARBRARGRARARXRB
SCHEMBL6378967 0.71 RARB (0.68) RXRARARBRARGRARARXRB

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
US-6033841-A Colour photographic silver halide material AGFA-GEVAERT NV (BE) 2000-03-07 US disclosed
US-5932402-A ORGANIC YELLOW PYRAZOLONE AND/OR SULFONAMIDE DYE THAT CAN BE DECOLORIZED DURING PROCESSING AGFA-GEVAERT AG (DE) 1999-08-03 US disclosed