SCHEMBL7709181

SCHEMBL7709181

C[S+]([O-])c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
RARB P10826 15/20 0.44
RARG P13631 15/20 0.44
RARA P10276 11/20 0.44
CYP26A1 O43174 4/20 0.42
CYP3A4 P08684 3/20 0.42
CRABP2 P29373 1/20 0.42
CYP26B1 Q9NR63 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 1/20 0.32
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
SPPL2A Q8TCT8 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL7713056 0.85 RARB (0.46) RXRARARBRARGRARACYP26A1
SCHEMBL8640016 0.84 RARB (0.45) RXRARARBRARGRARACYP26A1
Methyl Alcohol SCHEMBL7715082 0.82 RXRA (0.48) RXRARARBRARGRARACYP26A1
SCHEMBL7714860 0.82 RARB (0.44) RXRARARBRARGRARACYP26A1
SCHEMBL7713053 0.81 RARB (0.43) RXRARARBRARGRARACYP26A1
SCHEMBL7709233 0.81 RARB (0.47) RXRARARBRARGRARACYP26A1
SCHEMBL6378967 0.81 RARB (0.68) RXRARARBRARGRARACYP26A1
SCHEMBL7715161 0.78 CYP3A4 (0.54) RXRARARBRARGRARACYP26A1
SCHEMBL7709180 0.78 RARB (0.44) RXRARARBRARGRARACYP26A1
SCHEMBL7713185 0.76 RARB (0.49) RXRARARBRARGRARACYP26A1

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 7 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
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 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