SCHEMBL8995573

SCHEMBL8995573

CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCCCC#Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.50
CTSL P07711 6/20 0.50
CTSB P07858 4/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSK P43235 4/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 2/20 0.44
MAPT P10636 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
SCHEMBL7409808 1.00 CTSS (0.50) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL8995546 0.89 CTSS (0.53) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL8995544 0.89 CTSS (0.53) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL8995578 0.89 CTSS (0.53) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL8995576 0.89 CTSS (0.53) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL7418533 0.89 CTSS (0.52) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL8995549 0.89 CTSS (0.52) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL7423262 0.89 CTSS (0.52) CTSSCTSLCTSBMEN1ALDH1A1
SCHEMBL23451331 0.83 MEN1 (0.62) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL23451332 0.83 MEN1 (0.62) MEN1ALDH1A1HPGDKMT2ABCHE

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