SCHEMBL7423600

SCHEMBL7423600

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.55
CTSL P07711 3/20 0.55
FOLH1 Q04609 3/20 0.54
SIRT5 Q9NXA8 6/20 0.52
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
SIRT2 Q8IXJ6 4/20 0.49
SIRT1 Q96EB6 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL7423594 1.00 CTSS (0.55) CTSSCTSLFOLH1SIRT5CTSB
SCHEMBL8995569 1.00 CTSS (0.55) CTSSCTSLFOLH1SIRT5CTSB
SCHEMBL7419014 0.97 CTSS (0.56) CTSSCTSLFOLH1SIRT5CTSB
SCHEMBL7419011 0.97 CTSS (0.56) CTSSCTSLFOLH1SIRT5CTSB
SCHEMBL8995549 0.89 CTSS (0.52) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL7423262 0.89 CTSS (0.52) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL7418533 0.89 CTSS (0.52) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL9146621 0.89 MEN1 (0.53) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL8995576 0.87 CTSS (0.53) CTSSCTSLFOLH1SIRT5CTSB
SCHEMBL8995578 0.87 CTSS (0.53) CTSSCTSLFOLH1SIRT5CTSB

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