SCHEMBL7715218

SCHEMBL7715218

C#CC(O)c1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.42
RARG P13631 14/20 0.42
RARA P10276 13/20 0.42
RXRA P19793 4/20 0.42
CYP3A4 P08684 4/20 0.41
CYP26A1 O43174 3/20 0.41
KMT2A Q03164 1/20 0.38
SSTR5 P35346 1/20 0.32
RXRB P28702 1/20 0.32
CYP26B1 Q9NR63 1/20 0.30

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
SCHEMBL7715340 0.89 RXRA (0.35) RARBRARGRARARXRACYP3A4
SCHEMBL10557217 0.82 RARA (0.45) RARBRARGRARARXRACYP3A4
SCHEMBL7709282 0.82 RARA (0.43) RARBRARGRARARXRACYP3A4
SCHEMBL6157083 0.79 RXRA (0.52) RARBRARGRARARXRACYP3A4
SCHEMBL6157965 0.79 RXRA (0.52) RARBRARGRARARXRACYP3A4
SCHEMBL12715250 0.79 RARA (0.44) RARBRARGRARARXRACYP3A4
SCHEMBL7709227 0.75 CYP3A4 (0.59) RARBRARGRARARXRACYP3A4
SCHEMBL4309215 0.75 RARA (0.50) RARBRARGRARARXRACYP3A4
SCHEMBL8681728 0.74 RARB (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL8458475 0.74 RXRA (0.68) RARBRARGRARARXRACYP3A4

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 5 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
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP 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
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