SCHEMBL6428264

SCHEMBL6428264

CCc1cc(C(=Cc2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)=CCC3(C)C)[Si](C)(C)C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.53
RARG P13631 15/20 0.53
RARA P10276 15/20 0.53
RXRA P19793 1/20 0.49
NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL6427912 0.97 RARB (0.53) RARBRARGRARARXRANR2E1
SCHEMBL6259688 0.88 RARB (0.65) RARBRARGRARARXRANR2E1
SCHEMBL6259689 0.88 RARB (0.65) RARBRARGRARARXRANR2E1
SCHEMBL6428468 0.88 RARB (0.51) RARBRARGRARARXRANR2E1
SCHEMBL6428467 0.88 RARA (0.57) RARBRARGRARARXRANR2E1
SCHEMBL6259693 0.86 RARB (0.65) RARBRARGRARARXRANR2E1
SCHEMBL6427908 0.84 RARB (0.50) RARBRARGRARARXRANR2E1
SCHEMBL6427871 0.82 RARB (0.49) RARBRARGRARARXRANR2E1
SCHEMBL6261626 0.82 RARB (0.49) RARBRARGRARARXRANR2E1
SCHEMBL6262012 0.82 RARB (0.51) RARBRARGRARARXRANR2E1

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