SCHEMBL7417445

SCHEMBL7417445

N=C(N)c1ccc(CCCNC(=O)[C@@H](CCC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.54
PLG P00747 2/20 0.54
PLAU P00749 2/20 0.54
PLAT P00750 2/20 0.54
KLK8 O60259 1/20 0.54
F10 P00742 1/20 0.54
KLK1 P06870 1/20 0.54
KLK2 P20151 1/20 0.54
KLK4 Q9Y5K2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FOLH1 Q04609 2/20 0.52
CA1 P00915 1/20 0.51
SIRT2 Q8IXJ6 3/20 0.50
SIRT1 Q96EB6 3/20 0.50
SIRT3 Q9NTG7 3/20 0.50
SIRT5 Q9NXA8 3/20 0.50
TPSAB1 Q15661 2/20 0.50
CA5A P35218 1/20 0.49
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48

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
SCHEMBL7417435 1.00 F2 (0.54) F2PLGPLAUPLATKLK8
SCHEMBL7415256 0.97 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7417654 0.97 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7414657 0.97 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7414342 0.90 CASP1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7414413 0.90 CASP1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7414348 0.90 CASP1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7409898 0.88 MEN1 (0.56) F2PLGPLAUPLATKLK8
SCHEMBL7417659 0.88 MEN1 (0.56) F2PLGPLAUPLATKLK8
SCHEMBL7414685 0.86 FOLH1 (0.47) F2PLGPLAUPLATKLK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed