SCHEMBL6988397

SCHEMBL6988397

CC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSB P07858 4/20 0.40
LNPEP Q9UIQ6 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
ERAP2 Q6P179 1/20 0.37
GRIA1 P42261 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL6751806 0.90 CTSL (0.54) CTSLCTSBCTSSCTSKGRIA1
SCHEMBL6747644 0.90 CTSL (0.42) CTSLCTSBLNPEPCA1CA2
SCHEMBL6747731 0.90 CTSL (0.42) CTSLCTSBLNPEPCA1CA2
SCHEMBL6984396 0.89 CTSL (0.43) CTSLCTSBLNPEPCTSSCTSK
SCHEMBL6749622 0.89 CTSB (0.42) CTSLCTSBCTSSCTSKACE2
SCHEMBL6749679 0.89 CTSL (0.42) CTSLCTSBLNPEPCA1CA2
SCHEMBL6751310 0.89 CTSB (0.51) CTSLCTSBLNPEPCA1CA2
SCHEMBL6988426 0.88 CTSL (0.41) CTSLCTSBLNPEPCA1CA2
SCHEMBL6747766 0.87 CTSL (0.40) CTSLCTSBLNPEPCA1CA2
SCHEMBL6749598 0.86 USP30 (0.44) CTSLLNPEPERAP2

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
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed