SCHEMBL13613688

SCHEMBL13613688

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(NC(C(=O)O)c3cccc(OC(F)(F)C(F)F)c3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.38
F3 P13726 13/20 0.38
F10 P00742 8/20 0.38
F2 P00734 6/20 0.38
F11 P03951 2/20 0.38
F9 P00740 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
CETP P11597 1/20 0.34
PRKCA P17252 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRM4 Q14833 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL13613687 0.93 F7 (0.39) F7F3F10F2F11
SCHEMBL2848673 0.93 F7 (0.43) F7F3F10F2F11
SCHEMBL2853690 0.89 F7 (0.38) F7F3F10F2F11
SCHEMBL2854785 0.88 F7 (0.40) F7F3F10F2F11
SCHEMBL2910996 0.86 F7 (0.46) F7F3F10F2F11
SCHEMBL14009101 0.86 F7 (0.39) F7F3F10F2F11
SCHEMBL2850817 0.85 F7 (0.44) F7F3F10F2F11
SCHEMBL2854580 0.85 F7 (0.38) F7F3F10F2F11
SCHEMBL2852267 0.85 F7 (0.38) F7F3F10F2F11
SCHEMBL2916011 0.85 F7 (0.35) F7F3F10F2F11

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