SCHEMBL7305420

SCHEMBL7305420

CCOC(=O)[C@H](CC(C)C)NC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
FPR2 P25090 3/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
PPID Q08752 1/20 0.55
CAPN1 P07384 1/20 0.55
MAPK1 P28482 1/20 0.54
MAPT P10636 1/20 0.53
ANPEP P15144 2/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL29883935 0.86 CTSK (0.58) CTSLCTSBCTSSCTSKFPR2
SCHEMBL29272912 0.86 CTSK (0.58) CTSLCTSBCTSSCTSKFPR2
SCHEMBL5098654 0.84 FPR2 (0.76) CTSLCTSBCTSSCTSKFPR2
SCHEMBL5098656 0.84 FPR2 (0.76) CTSLCTSBCTSSCTSKFPR2
SCHEMBL26606003 0.83 CA12 (0.61) FPR2CA12CA1CA2CA9
SCHEMBL26606001 0.83 CA12 (0.61) FPR2CA12CA1CA2CA9
SCHEMBL839816 0.80 CTSL (0.59) CTSLCTSBCTSSCTSKPPID
SCHEMBL838492 0.80 CTSL (0.59) CTSLCTSBCTSSCTSKPPID
SCHEMBL839616 0.80 CTSL (0.59) CTSLCTSBCTSSCTSKPPID
SCHEMBL4345272 0.79 PPID (0.48) FPR2CA12CA1CA2CA9

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
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed