SCHEMBL13479212

SCHEMBL13479212

C=C(c1ccc(C=O)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.61
RXRB P28702 10/20 0.60
RXRG P48443 10/20 0.60
RARB P10826 8/20 0.60
RARG P13631 7/20 0.60
RARA P10276 5/20 0.60
PPARG P37231 2/20 0.60
MEN1 O00255 1/20 0.60
CYP26A1 O43174 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
PGR P06401 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1A P35348 1/20 0.60

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
SCHEMBL13480473 0.86 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL5537878 0.83 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL1073659 0.81 RXRA (0.84) RXRARXRBRXRGRARBRARG
SCHEMBL4532789 0.81 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL7021482 0.78 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL12426168 0.78 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL7889455 0.77 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL7023537 0.76 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL726852 0.76 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL12425771 0.75 RXRA (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed