SCHEMBL7709251

SCHEMBL7709251

C#CC(O)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.46
RXRG P48443 9/20 0.38
RXRB P28702 8/20 0.38
RARA P10276 4/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
MEN1 O00255 1/20 0.36
CYP26A1 O43174 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL7713197 0.80 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL7217727 0.79 RXRA (0.54) RXRARXRGRXRBRARARARB
SCHEMBL7713132 0.78 RXRA (0.42) RXRARXRGRXRBRARARARB
SCHEMBL7715180 0.74 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL6157083 0.73 RXRA (0.52) RXRARXRGRXRBRARARARB
SCHEMBL6157965 0.73 RXRA (0.52) RXRARXRGRXRBRARARARB
SCHEMBL8639015 0.73 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL8681617 0.72 RXRA (0.40) RXRARXRGRXRBRARARARB
SCHEMBL5537842 0.71 RXRA (0.53) RXRARXRGRXRBRARARARB
SCHEMBL7622765 0.71 RXRA (0.48) RXRARXRGRXRBRARARARB

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