SCHEMBL7714841

SCHEMBL7714841

COC(=O)c1ccc(C#CC(O)c2cc3c(cc2OC)C(C)(C)CCC3(C)C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP26A1 O43174 3/20 0.37
RARB P10826 3/20 0.37
RARA P10276 2/20 0.37
RARG P13631 2/20 0.37
CRABP2 P29373 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HNF4A P41235 2/20 0.34
PTPN11 Q06124 1/20 0.34
MYC P01106 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
SCHEMBL7709232 0.91 RXRA (0.45) RXRACYP3A4CYP26A1RARBRARA
SCHEMBL7713138 0.90 RXRA (0.39) RXRACA12CA1CA2CA7
SCHEMBL7928580 0.87 RARG (0.45) RXRACYP3A4CYP26A1RARBRARA
SCHEMBL7928578 0.87 RXRA (0.34) RXRACA12CA1CA2CA7
SCHEMBL7928575 0.87 RXRA (0.34) RXRACA12CA1CA2CA7
SCHEMBL7714935 0.84 RARB (0.42) RXRACA12CA1CA2CA7
SCHEMBL19342969 0.80 RARB (0.56) RXRACA12CA1CA2CA7
SCHEMBL6341491 0.79 CA12 (0.34) CA12CA1CA2CA7PDK2
SCHEMBL7928405 0.79 RARG (0.51) RXRACYP3A4CYP26A1RARBRARA
SCHEMBL7715073 0.78 RARG (0.42) RXRACYP3A4CYP26A1RARBRARA

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