SCHEMBL9807063

SCHEMBL9807063

CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.70
CTSS P25774 6/20 0.70
CTSL P07711 3/20 0.70
CTSB P07858 1/20 0.70
CAPN1 P07384 1/20 0.64
CAPN2 P17655 1/20 0.64
CA5A P35218 1/20 0.58

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
SCHEMBL24115146 0.91 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL20669315 0.91 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8245664 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL24130351 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4032986 0.88 CTSS (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6661701 0.88 CTSL (0.69) CTSKCTSSCTSLCTSB
SCHEMBL7536642 0.88 CTSS (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10790294 0.88 CTSL (0.69) CTSKCTSSCTSLCTSB
SCHEMBL11361534 0.88 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7402633 0.88 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996358-A Control, prevention rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1991-02-26 US disclosed