SCHEMBL7511181

SCHEMBL7511181

CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.53
CTSL P07711 6/20 0.53
CTSB P07858 3/20 0.53
CTSK P43235 6/20 0.51
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL2863999 0.87 CTSS (0.50) CTSSCTSLCTSBCTSKATM
SCHEMBL17357790 0.87 CTSS (0.50) CTSSCTSLCTSBCTSKATM
SCHEMBL1199790 0.87 ITGB3 (0.53) CTSSCTSLCTSBCTSKATM
SCHEMBL7513292 0.87 ITGB3 (0.53) CTSSCTSLCTSBCTSKATM
SCHEMBL1199787 0.87 ITGB3 (0.53) CTSSCTSLCTSBCTSKATM
SCHEMBL15936883 0.85 KYNU (0.54) CTSSCTSLCTSBCTSKATM
SCHEMBL1199068 0.85 KYNU (0.54) CTSSCTSLCTSBCTSKATM
SCHEMBL1199066 0.85 KYNU (0.54) CTSSCTSLCTSBCTSKATM
SCHEMBL31276760 0.84 CTSS (0.58) CTSSCTSLCTSBCTSKMME
SCHEMBL30801699 0.84 CTSL (0.49) CTSSCTSLCTSBCTSKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786462-B1 DC107 derivatives KYOWA HAKKO KOGYO KK (JP) 2002-09-18 EP disclosed
US-5733924-A BACTERICIDES AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-31 US disclosed
EP-0786462-A1 DC107 DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-30 EP disclosed