SCHEMBL7715340

SCHEMBL7715340

C#CC(O)c1ccc2c(c1)SCCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.35
RARB P10826 14/20 0.34
RARG P13631 14/20 0.34
RARA P10276 13/20 0.34
CYP3A4 P08684 4/20 0.34
CYP26A1 O43174 3/20 0.34
RXRB P28702 1/20 0.32
KMT2A Q03164 1/20 0.31
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
SCHEMBL7715218 0.89 RARB (0.42) RXRARARBRARGRARACYP3A4
SCHEMBL9147995 0.82 RXRA (0.38) RXRARARBRARGRARACYP3A4
SCHEMBL7713122 0.82 RARA (0.36) RXRARARBRARGRARACYP3A4
SCHEMBL6157083 0.79 RXRA (0.52) RXRARARBRARGRARACYP3A4
SCHEMBL6157965 0.79 RXRA (0.52) RXRARARBRARGRARACYP3A4
SCHEMBL7709286 0.75 CYP26A1 (0.52) RXRARARBRARGRARACYP3A4
SCHEMBL9006909 0.75 RARA (0.39) RXRARARBRARGRARACYP3A4
SCHEMBL8681439 0.74 RARB (0.41) RXRARARBRARGRARACYP3A4
SCHEMBL7715303 0.73 RARA (0.48) RXRARARBRARGRARACYP3A4
SCHEMBL7709298 0.72 RARB (0.44) RXRARARBRARGRARACYP3A4

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