SCHEMBL8750916

SCHEMBL8750916

CCOC(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 2/20 0.62
▸ CTSB P07858 2/20 0.62
▸ CAPN1 P07384 1/20 0.56
▸ CAPN2 P17655 1/20 0.56
▸ TACR1 P25103 2/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL8750804 0.94 CTSL (0.56) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL8192271 0.87 CAPN1 (0.53) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL22599593 0.87 CTSL (0.70) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL9113871 0.86 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL6621545 0.85 HTT (0.60) —
SCHEMBL6361024 0.85 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1
SCHEMBL6361021 0.85 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1
SCHEMBL16601896 0.84 CTSL (0.67) CTSLCTSSCTSKCTSBSIRT2
SCHEMBL10802560 0.84 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL6365264 0.84 CTSS (0.53) CTSLCTSSCTSKCTSBCAPN1

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