SCHEMBL8837405

SCHEMBL8837405

CCC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.70
CTSL P07711 5/20 0.66
CTSS P25774 4/20 0.66
CTSB P07858 3/20 0.66
CAPN1 P07384 1/20 0.60
CAPN2 P17655 1/20 0.60
CASP1 P29466 1/20 0.60
CASP3 P42574 1/20 0.60
CASP7 P55210 1/20 0.60
CASP6 P55212 1/20 0.60
CASP8 Q14790 1/20 0.60

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
SCHEMBL8837408 1.00 CTSK (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823946 0.90 CTSK (0.72) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL29865964 0.88 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL6495005 0.88 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823908 0.88 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL16272916 0.87 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL222158 0.87 CTSK (0.76) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL1823902 0.87 CTSK (0.76) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL2366985 0.87 CTSK (0.76) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823912 0.87 CTSK (0.65) CTSKCTSLCTSSCTSBCAPN1

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-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed