SCHEMBL7652022

SCHEMBL7652022

CCOC(=O)c1cc(C(=O)NCC(C)C)ccc1-c1ccccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F3 P13726 12/20 0.48
F2 P00734 11/20 0.48
F10 P00742 11/20 0.48
F7 P08709 11/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLG P00747 5/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ERN1 O75460 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL7665736 0.90 F3 (0.51) F3F2F10F7PRSS1
SCHEMBL7656288 0.86 F3 (0.61) F3F2F10F7PRSS1
SCHEMBL4627929 0.81 ERN1 (0.47) GAAKMT2AHPGDKDM4EERN1
SCHEMBL6348347 0.77 F2 (0.55) F3F2F10F7PRSS1
SCHEMBL7662054 0.77 TSHR (0.61) KMT2AHSD17B10KDM4EERN1MAPT
SCHEMBL7664289 0.77 F7 (0.55) F3F2F10F7PRSS1
SCHEMBL7656638 0.76 F3 (0.74) F3F2F10F7PRSS1
SCHEMBL7663714 0.76 F10 (0.54) F3F2F10F7PRSS1
SCHEMBL7659886 0.75 POLB (0.46) F3F2F10F7PRSS1
SCHEMBL7688990 0.75 F3 (0.63) F3F2F10F7PRSS1

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