SCHEMBL8750804

SCHEMBL8750804

CCOC(CCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSB P07858 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CAPN1 P07384 1/20 0.51
▸ CAPN2 P17655 1/20 0.51
▸ TGM2 P21980 1/20 0.49
▸ TACR1 P25103 2/20 0.49
▸ SIRT2 Q8IXJ6 2/20 0.48
▸ SIRT1 Q96EB6 2/20 0.48
▸ SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL8750916 0.94 CTSL (0.62) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL5308284 0.85 CTSL (0.58) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL8236608 0.85 CTSL (0.58) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL5298109 0.82 SIRT2 (0.54) CTSLCTSSCTSBCTSKTGM2
SCHEMBL8192271 0.82 CAPN1 (0.53) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL22599593 0.81 CTSL (0.70) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL9113871 0.81 CTSL (0.73) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL6621545 0.80 HTT (0.60) TGM2
SCHEMBL6361024 0.80 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL6361021 0.80 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3

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
EP-0764151-A2 PURIFICATION OF SERINE PROTEASE AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1997-03-26 — — EP disclosed
WO-1995034538-A2 PURIFICATION OF SERINE PROTEASES AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1995-12-21 — — WO disclosed
Send feedback