SCHEMBL6428467

SCHEMBL6428467

CCc1cc(C=C(c2ccc3c(c2)C(c2ccccc2)=CCC3(C)C)[Si](C)(C)C)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.57
RARB P10826 17/20 0.57
RARG P13631 17/20 0.57
RXRA P19793 1/20 0.57
NR2E1 Q9Y466 1/20 0.57

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
SCHEMBL6428468 0.93 RARB (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6427912 0.91 RARB (0.53) RARARARBRARGRXRANR2E1
SCHEMBL6428264 0.88 RARB (0.53) RARARARBRARGRXRANR2E1
SCHEMBL6262565 0.87 RARA (0.72) RARARARBRARGRXRANR2E1
SCHEMBL6262562 0.85 RARA (0.75) RARARARBRARGRXRANR2E1
SCHEMBL6264495 0.82 RARA (0.55) RARARARBRARGRXRANR2E1
SCHEMBL6428464 0.81 RARB (0.58) RARARARBRARGRXRANR2E1
SCHEMBL6259669 0.80 RARB (0.63) RARARARBRARGRXRANR2E1
SCHEMBL6258858 0.80 RARA (0.58) RARARARBRARGRXRANR2E1
SCHEMBL6428636 0.79 RARG (0.54) RARARARBRARGRXRA

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