SCHEMBL13613719

SCHEMBL13613719

CCOc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)OC)ccc1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.56
F3 P13726 12/20 0.56
F10 P00742 9/20 0.49
F2 P00734 7/20 0.49
PRSS1 P07477 4/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
F11 P03951 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5883152 0.91 F7 (0.59) F7F3F10F2PRSS1
SCHEMBL3463923 0.89 F7 (0.69) F7F3F10F2PRSS1
SCHEMBL4338427 0.86 F7 (0.59) F7F3F10F2PRSS1
SCHEMBL5882098 0.83 F7 (0.67) F7F3F10F2PRSS1
SCHEMBL2542124 0.83 F7 (0.43) F7F3F10F2PRSS1
SCHEMBL5882718 0.82 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL4333411 0.82 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL5883135 0.82 F7 (0.56) F7F3F10F2PRSS1
SCHEMBL5883855 0.81 F7 (0.62) F7F3F10F2PRSS1
SCHEMBL4340755 0.80 F7 (0.66) F7F3F10F2PRSS1

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-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed