SCHEMBL9600765

SCHEMBL9600765

CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.63
CTSS P25774 4/20 0.59
CTSL P07711 4/20 0.59
CTSB P07858 1/20 0.58
CAPN1 P07384 3/20 0.56
CAPN2 P17655 1/20 0.56
MMP3 P08254 1/20 0.55

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
SCHEMBL21485271 0.90 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9641495 0.90 CTSK (0.63) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8744667 0.89 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8744665 0.89 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7324011 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7324017 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8972543 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7305719 0.88 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8972291 0.88 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7305705 0.88 CTSK (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5345754-A None JP disclosed
JP-H05345754-A DIPEPTIDE DERIVATIVE AND PREVENTING AND THERAPEUTIC AGENT FOR OSTEOPATHY COMPRISING THE SAME AS ACTIVE INGREDIENT SUNTORY LTD 1993-12-27 JP disclosed