SCHEMBL7030845

SCHEMBL7030845

C=C(c1ccc(OC(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.73
RXRG P48443 10/20 0.56
RXRB P28702 9/20 0.56
RARB P10826 4/20 0.56
RARA P10276 3/20 0.56
RARG P13631 3/20 0.56
MEN1 O00255 1/20 0.56
CYP26A1 O43174 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL7028435 0.85 RXRA (0.56) RXRARXRGRXRBRARBRARA
SCHEMBL726852 0.85 RXRA (1.00) RXRARXRGRXRBRARBRARA
SCHEMBL6905878 0.82 RXRA (0.77) RXRARXRGRXRBRARBRARA
SCHEMBL5534855 0.82 RXRA (0.73) RXRARXRGRXRBRARBRARA
SCHEMBL13716959 0.81 RXRA (0.69) RXRARXRGRXRBRARBRARA
SCHEMBL1073659 0.81 RXRA (0.84) RXRARXRGRXRBRARBRARA
SCHEMBL1073669 0.80 RXRA (0.74) RXRARXRGRXRBRARBRARA
SCHEMBL13843172 0.80 RXRA (0.70) RXRARXRGRXRBRARBRARA
SCHEMBL7021482 0.80 RXRA (0.64) RXRARXRGRXRBRARBRARA
SCHEMBL12425774 0.79 RXRA (0.65) RXRARXRGRXRBRARBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983991-B1 Compounds having selectivity for retinoid x receptors LIGAND PHARM INC (US) 2003-12-17 EP claimed