SCHEMBL7414685

SCHEMBL7414685

N=C(N)c1ccc(C#CCCCNC(=O)C(CCC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.47
SIRT5 Q9NXA8 4/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
SIRT3 Q9NTG7 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
PTGER4 P35408 3/20 0.44
TPSAB1 Q15661 1/20 0.44
KLK8 O60259 2/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
PLAT P00750 2/20 0.43
KLK4 Q9Y5K2 2/20 0.43
KLK1 P06870 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
SCHEMBL7414689 1.00 FOLH1 (0.47) FOLH1SIRT5CTSLCTSSSIRT2
SCHEMBL8995576 0.88 CTSS (0.53) FOLH1SIRT5CTSLCTSSSIRT2
SCHEMBL8995578 0.88 CTSS (0.53) FOLH1SIRT5CTSLCTSSSIRT2
SCHEMBL7417445 0.86 F2 (0.54) FOLH1SIRT5SIRT2SIRT1SIRT3
SCHEMBL7417435 0.86 F2 (0.54) FOLH1SIRT5SIRT2SIRT1SIRT3
SCHEMBL7417654 0.85 FOLH1 (0.53) FOLH1SIRT5SIRT2SIRT1SIRT3
SCHEMBL7415256 0.85 FOLH1 (0.53) FOLH1SIRT5SIRT2SIRT1SIRT3
SCHEMBL7414657 0.85 FOLH1 (0.53) FOLH1SIRT5SIRT2SIRT1SIRT3
SCHEMBL14132310 0.79 F10 (0.52) FOLH1SIRT5CTSLCTSSSIRT2
SCHEMBL8995573 0.78 CTSS (0.50) CTSLCTSSSIRT2SIRT1SIRT3

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