SCHEMBL6130874

SCHEMBL6130874

CC(C)C(NC(=O)OCc1ccccc1)P(=O)(O)C(CC(=O)O)c1cccc(C(=O)NN)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.50
▸ PRTN3 P24158 2/20 0.48
▸ CASP1 P29466 2/20 0.45
▸ CTSK P43235 2/20 0.41
▸ ECE1 P42892 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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
SCHEMBL2350438 0.81 ELANE (0.50) ELANEPRTN3ECE1ATM
SCHEMBL2353877 0.74 ELANE (0.72) ELANEPRTN3CTSKECE1ATM
SCHEMBL2353879 0.74 ELANE (0.72) ELANEPRTN3CTSKECE1ATM
SCHEMBL5076528 0.71 ELANE (0.67) ELANEPRTN3CTSKECE1ATM
SCHEMBL6130869 0.70 ELANE (0.63) ELANEPRTN3ECE1ATM
SCHEMBL2350341 0.70 ELANE (0.52) ELANEPRTN3
SCHEMBL2356009 0.70 ELANE (0.52) ELANEPRTN3ECE1
SCHEMBL2350988 0.70 ELANE (0.52) ELANEPRTN3ECE1
SCHEMBL2353547 0.70 ELANE (0.60) ELANEPRTN3ECE1
SCHEMBL2353853 0.69 ELANE (0.51) ELANEPRTN3

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-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 — — EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 — — WO disclosed
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