SCHEMBL8995576

SCHEMBL8995576

N#Cc1ccc(C#CCCCNC(=O)C(CCC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.53
CTSL P07711 4/20 0.53
FOLH1 Q04609 3/20 0.50
CTSB P07858 3/20 0.49
CTSK P43235 2/20 0.49
SIRT5 Q9NXA8 6/20 0.49
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8995578 1.00 CTSS (0.53) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL8995573 0.89 CTSS (0.50) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL7409808 0.89 CTSS (0.50) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL7419011 0.88 CTSS (0.56) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7419014 0.88 CTSS (0.56) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7414689 0.88 FOLH1 (0.47) CTSSCTSLFOLH1SIRT5CAPN1
SCHEMBL7414685 0.88 FOLH1 (0.47) CTSSCTSLFOLH1SIRT5CAPN1
SCHEMBL8995569 0.87 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7423600 0.87 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL7423594 0.87 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK

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-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