SCHEMBL7876431

SCHEMBL7876431

C=C(C(=O)Oc1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.67
RXRB P28702 11/20 0.67
RXRG P48443 7/20 0.67
RARB P10826 10/20 0.63
RARG P13631 9/20 0.63
RARA P10276 7/20 0.63
CYP26A1 O43174 4/20 0.56
CYP26B1 Q9NR63 3/20 0.56
CYP3A4 P08684 2/20 0.56
CRABP2 P29373 1/20 0.54
MEN1 O00255 1/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53

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
SCHEMBL8839171 0.92 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL9175151 0.83 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL7879903 0.81 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL5084209 0.81 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL7720657 0.80 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL8839146 0.78 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL8839189 0.78 RARB (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL9165893 0.78 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL8873877 0.78 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL6818089 0.77 RXRA (1.00) RXRARXRBRXRGRARBRARG

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US claimed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed
EP-0901462-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1999-03-17 EP disclosed
WO-1998034909-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-08-13 WO disclosed