SCHEMBL7560489

SCHEMBL7560489

C#CSc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.50
RXRB P28702 12/20 0.50
RARB P10826 8/20 0.50
RXRG P48443 8/20 0.50
RARG P13631 7/20 0.50
CYP26A1 O43174 3/20 0.47
RARA P10276 5/20 0.40
CYP3A4 P08684 1/20 0.40
CRABP2 P29373 1/20 0.40
CYP26B1 Q9NR63 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
SCHEMBL17914352 0.82 RXRA (0.54) RXRARXRBRARBRXRGRARG
SCHEMBL15617210 0.80 RXRA (0.56) RXRARXRBRARBRXRGRARG
SCHEMBL4370337 0.77 RARB (0.43) RXRARXRBRARBRXRGRARG
SCHEMBL9006914 0.77 RARB (0.35) RXRARXRBRARBRXRGRARG
SCHEMBL6528854 0.77 RXRA (0.53) RXRARXRBRARBRXRGRARG
SCHEMBL20277839 0.77 RXRA (0.53) RXRARXRBRARBRXRGRARG
SCHEMBL2223568 0.73 RARB (0.53) RXRARXRBRARBRXRGRARG
SCHEMBL7759680 0.73 RXRA (0.69) RXRARXRBRARBRXRGRARG
SCHEMBL9521075 0.73 RARB (0.60) RXRARXRBRARBRXRGRARG
SCHEMBL7559396 0.70 RXRA (0.47) RXRARXRBRARBRXRGRARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed