SCHEMBL7658219

SCHEMBL7658219

COc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)OCc2ccccc2)c(CNc2ccc(C(N)=NC(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F3 P13726 17/20 0.49
F7 P08709 15/20 0.49
F10 P00742 13/20 0.49
F2 P00734 12/20 0.49
PLG P00747 7/20 0.49
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
HSP90AA1 P07900 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL7651357 0.92 F3 (0.47) F3F7F10F2PLG
SCHEMBL7663442 0.88 F3 (0.46) F3F7F10F2PLG
SCHEMBL7665681 0.88 HSP90AA1 (0.44) F7F10F2PRSS1HSP90AA1
SCHEMBL7651288 0.86 F3 (0.48) F3F7F10F2PLG
SCHEMBL7656373 0.81 F7 (0.42) F3F7F10F2PLG
SCHEMBL7658729 0.79 F7 (0.76) F3F7F10F2PLG
SCHEMBL7661958 0.79 F7 (0.79) F3F7F10F2PLG
SCHEMBL7656586 0.77 HSP90AA1 (0.48) HSP90AA1CA1CA2
SCHEMBL7655865 0.77 HSP90AA1 (0.47) F7F10F2PRSS1HSP90AA1
SCHEMBL7656851 0.77 F7 (0.72) F3F7F10F2PLG

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
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed