SCHEMBL9959568

SCHEMBL9959568

ClCc1c(C2CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC3(CC2)CC3)noc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.38

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
SCHEMBL9956818 0.92 NR1H4 (0.41) NR1H4
SCHEMBL20853741 0.92 NR1H4 (0.41) NR1H4
SCHEMBL21195665 0.87 NR1H4 (0.32) NR1H4
SCHEMBL9957585 0.81 PTGDR2 (0.33) NR1H4
SCHEMBL9957102 0.79 NR1H4 (0.32) NR1H4
SCHEMBL17839466 0.79 NR1H4 (0.32) NR1H4
SCHEMBL26922619 0.77 NR1H4 (0.43) NR1H4
SCHEMBL26923559 0.77 NR1H4 (0.41) NR1H4
SCHEMBL9957376 0.77 NR1H4 (0.43) NR1H4
SCHEMBL9960720 0.77

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
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed