SCHEMBL7801892

SCHEMBL7801892

Cc1cc2c(cc1C1(C)COc3ccc(C(=O)O)cc31)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.58
RXRB P28702 8/20 0.54
RXRG P48443 8/20 0.54
RARB P10826 8/20 0.52
RARG P13631 8/20 0.52
RARA P10276 7/20 0.52
PPARG P37231 2/20 0.50
CYP26A1 O43174 2/20 0.50
CYP26B1 Q9NR63 2/20 0.50
MEN1 O00255 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL6734814 0.90 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL8093205 0.87 RARB (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL6730217 0.83 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL7799426 0.81 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL7799428 0.81 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL7801865 0.79 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL7808934 0.79 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL6733785 0.78 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL3542625 0.77 RARB (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL20876244 0.77 BRD4 (0.52) RXRARARBRARGRARACYP26A1

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
EP-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP disclosed
US-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US disclosed
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO disclosed