SCHEMBL7303462

SCHEMBL7303462

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OCc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.57
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KLK5 Q9Y337 2/20 0.44
KLK7 P49862 1/20 0.44
CMA1 P23946 1/20 0.44
CAPN1 P07384 2/20 0.43
SYK P43405 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
PPARA Q07869 1/20 0.40

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
SCHEMBL27278810 1.00 ELANE (0.57) ELANECTSLCTSBCTSSCTSK
SCHEMBL7323530 0.88 ELANE (0.69) ELANECTSLCTSBCTSSCTSK
SCHEMBL7325702 0.85 ELANE (0.61) ELANECTSLCTSBCTSSCTSK
SCHEMBL7431398 0.83 ELANE (0.51) ELANECTSLCTSBCTSSCTSK
SCHEMBL10529734 0.83 ELANE (0.51) ELANECTSLCTSBCTSSCTSK
SCHEMBL7308079 0.83 ELANE (0.53) ELANECTSLCTSBCTSSCTSK
SCHEMBL6261622 0.81 ELANE (0.49) ELANEKMT2AMEN1
SCHEMBL6261618 0.81 ELANE (0.49) ELANEKMT2AMEN1
SCHEMBL6264301 0.80 ELANE (0.49) ELANECTSLCTSBCTSSCTSK
SCHEMBL27282323 0.80 SLC15A1 (0.48) ELANECTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed