SCHEMBL8995544

SCHEMBL8995544

CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCCCc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.53
CTSK P43235 4/20 0.53
CTSL P07711 6/20 0.52
CTSB P07858 4/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.47
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
P2RX7 Q99572 1/20 0.46
SIRT2 Q8IXJ6 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
SCHEMBL8995546 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBMEN1
SCHEMBL7423262 0.97 CTSS (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL7418533 0.97 CTSS (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8995549 0.97 CTSS (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL7409808 0.89 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8995573 0.89 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8995548 0.89 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7423272 0.89 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8995562 0.89 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7419014 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBSMN1; 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 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