SCHEMBL7309861

SCHEMBL7309861

COC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)O)C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.62
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
DPP4 P27487 1/20 0.44
DGAT1 O75907 1/20 0.44
KCNH2 Q12809 1/20 0.44
CMA1 P23946 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR1 P32246 1/20 0.43

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
SCHEMBL7306418 0.87 PREP (0.53) ELANEKMT2AMEN1
SCHEMBL18586364 0.87 ELANE (0.61) ELANEKMT2AMEN1EPHX2THRB
SCHEMBL20484667 0.87 ELANE (0.61) ELANEKMT2AMEN1EPHX2THRB
SCHEMBL18586541 0.86 ELANE (0.60) ELANEKMT2AMEN1THRBALOX12
SCHEMBL20484759 0.86 ELANE (0.60) ELANEKMT2AMEN1THRBALOX12
SCHEMBL7305276 0.86 ELANE (0.56) ELANEALDH1A1CMA1TSHR
SCHEMBL7303733 0.85 ELANE (0.84) ELANECMA1
SCHEMBL7312617 0.83 ELANE (0.64) ELANECMA1
SCHEMBL9277429 0.82 ELANE (0.79) ELANECMA1
SCHEMBL18619664 0.82 ELANE (0.60) ELANEKMT2AMEN1CYP2C19EPHX2

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