SCHEMBL9937470

SCHEMBL9937470

Cc1cc(-c2ccc(-c3nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]3)cn2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.40
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL9935277 0.84 DGAT1 (0.53) DGAT1
SCHEMBL9936821 0.78 DGAT1 (0.60) DGAT1
SCHEMBL9936134 0.78 DGAT1 (0.53) DGAT1
SCHEMBL9936570 0.77 DGAT1 (0.61) DGAT1
SCHEMBL9936647 0.76 DGAT1 (0.60) DGAT1
SCHEMBL9935292 0.76 DGAT1 (0.51) DGAT1
SCHEMBL9936636 0.75 DGAT1 (0.50) DGAT1
SCHEMBL9936721 0.74 DGAT1 (0.67) DGAT1HSD17B1HSD17B2
SCHEMBL9937472 0.73 DGAT1 (0.36) DGAT1HSD17B1HSD17B2
SCHEMBL9935598 0.70 DGAT1 (0.54) DGAT1

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-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed