SCHEMBL3459934

SCHEMBL3459934

C[C@@H](O)C(I)c1cc(F)cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL4101136 0.79 CES2 (0.52) CES2CES1TRPM8
SCHEMBL4099522 0.79 CES2 (0.52) CES2CES1TRPM8
SCHEMBL2001602 0.79 CES2 (0.52) CES2CES1TRPM8
SCHEMBL9945882 0.74 CES2 (0.50) CES2CES1TRPM8
SCHEMBL28266437 0.73 CES2 (0.53) CES2CES1TRPM8
SCHEMBL23046930 0.71 CES2 (0.43) CES2CES1TRPM8
SCHEMBL17043179 0.71 CES2 (0.43) CES2CES1TRPM8
SCHEMBL28268019 0.71 CES2 (0.52) CES2CES1TRPM8
SCHEMBL22646661 0.71 CES2 (0.43) CES2CES1TRPM8
SCHEMBL31050924 0.71 CES2 (0.43) CES2CES1TRPM8

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-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed