SCHEMBL27768015

SCHEMBL27768015

CC(C)(C)NC(=O)Oc1cc(F)c(Cl)cc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 2/20 0.43
ALPL P05186 2/20 0.40
GAA P10253 3/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
FADS1 O60427 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27767920 0.94 POLB (0.43) POLBAPEX1HTTALPLGAA
SCHEMBL27641583 0.84 CD44 (0.42) POLBAPEX1GAACA1CA2
SCHEMBL27662011 0.83 POLB (0.35) POLBAPEX1HTTGAALMNA
SCHEMBL27516229 0.81 CFTR (0.38) POLBAPEX1HTTGAALMNA
SCHEMBL27539394 0.81 GAA (0.35) POLBAPEX1HTTGAALMNA
SCHEMBL27571037 0.78 POLB (0.33) POLBAPEX1HTTGAA
SCHEMBL20521220 0.78 FADS1 (0.37) HTTALPLGAALMNAHTR2A
SCHEMBL29286693 0.78 POLB (0.36) POLBAPEX1HTTKDM4E
SCHEMBL27981649 0.77 POLB (0.44) POLBAPEX1HTTLMNAANO1
SCHEMBL27641592 0.77 HDAC1 (0.38) HTTLMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083799-B Benzimidazole derivatives used as FXR agonists HOFFMANN LA ROCHE 2013-10-16 CN disclosed
CN-101855214-B Benzimidazole derivatives and their use as FXR agonists HOFFMANN LA ROCHE 2012-12-26 CN disclosed
CN-101479249-B Benzimidazole derivatives, method for the production thereof, their use as FXR agonists and pharmaceutical preparations containing them HOFFMANN LA ROCHE 2012-10-10 CN disclosed
CN-102083799-A Benzimidazole derivatives used as FXR agonists HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101855214-A Benzimidazole derivatives and their use as FXR agonists HOFFMANN LA ROCHE 2010-10-06 CN disclosed
CN-101479249-A Benzimidazole derivatives, method for the production thereof, their use as FXR agonists and pharmaceutical preparations containing them HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed