SCHEMBL6992575

SCHEMBL6992575

O=C(NC(Cc1ccc(F)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.48
KLKB1 P03952 1/20 0.44
CTSL P07711 10/20 0.38
CTSS P25774 8/20 0.38
CTSK P43235 8/20 0.38
CTSB P07858 7/20 0.38
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
SCN9A Q15858 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A4 P08684 1/20 0.37
UGCG Q16739 1/20 0.37
CA2 P00918 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
SCHEMBL6294856 0.94 KLKB1 (0.43) USP30KLKB1CTSLCTSSCTSK
SCHEMBL6699086 0.94 KLKB1 (0.43) USP30KLKB1CTSLCTSSCTSK
SCHEMBL6300222 0.90 CTSL (0.39) USP30CTSLCTSSCTSKCTSB
SCHEMBL6701575 0.90 TRPV1 (0.44) USP30KLKB1CTSLCYP2D6CYP2C9
SCHEMBL6300527 0.89 CTSL (0.38) USP30CTSLCTSSCTSKCTSB
SCHEMBL6295797 0.88 KLKB1 (0.43) USP30KLKB1CTSLCTSSCTSK
SCHEMBL6696901 0.88 USP30 (0.42) USP30CTSLCTSSCTSKCTSB
SCHEMBL6703701 0.87 CTSL (0.44) CTSLCTSSCTSKCTSB
SCHEMBL6300636 0.86 CTSL (0.41) USP30CTSLCTSSCTSKCTSB
SCHEMBL6294795 0.85 CTSB (0.49) USP30CTSLCTSSCTSKCTSB

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-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed