SCHEMBL7419014

SCHEMBL7419014

N#Cc1ccc(CCCNC(=O)[C@@H](CCC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.56
CTSL P07711 5/20 0.56
FOLH1 Q04609 3/20 0.52
CTSB P07858 4/20 0.52
CTSK P43235 2/20 0.52
SIRT5 Q9NXA8 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.49
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49
HTT P42858 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 2/20 0.48
SIRT3 Q9NTG7 2/20 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
SCHEMBL7419011 1.00 CTSS (0.56) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7423600 0.97 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7423594 0.97 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL8995569 0.97 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL8995546 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8995544 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8995576 0.88 CTSS (0.53) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL8995578 0.88 CTSS (0.53) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL9146621 0.86 MEN1 (0.53) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL7418533 0.86 CTSS (0.52) CTSSCTSLCTSBCTSKSMN1; SMN2

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