SCHEMBL6427532

SCHEMBL6427532

CCc1cc(C=C(c2cc3c(cc2C)C(C)(C)CCC3(C)C)[Si](C)(C)C)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.48
RXRB P28702 12/20 0.48
RXRG P48443 12/20 0.48
RARB P10826 9/20 0.48
RARG P13631 8/20 0.48
RARA P10276 5/20 0.44
MEN1 O00255 1/20 0.41
CYP26A1 O43174 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL6428716 0.85 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL6263321 0.80 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL6263315 0.80 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL6429291 0.78 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL6427528 0.76 RXRA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL6260911 0.75 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL6260916 0.75 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL6260306 0.74 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL6260299 0.74 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL6516792 0.73 RXRA (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906057-B1 Methods for modulating FXR receptor activity ALLERGAN, INC. (US) 2005-06-14 US disclosed