SCHEMBL6130869

SCHEMBL6130869

CC(C)C(NC(=O)OCc1ccccc1)P(=O)(O)OCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.63
PRTN3 P24158 2/20 0.60
ATM Q13315 1/20 0.48
ECE1 P42892 2/20 0.47
MME P08473 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6130888 0.91 ELANE (0.61) ELANEPRTN3ATMECE1MME
SCHEMBL5076528 0.86 ELANE (0.67) ELANEPRTN3ATMECE1MME
SCHEMBL2353877 0.84 ELANE (0.72) ELANEPRTN3ATMECE1MME
SCHEMBL2353879 0.84 ELANE (0.72) ELANEPRTN3ATMECE1MME
SCHEMBL6130897 0.79 ELANE (0.44) ELANEPRTN3ECE1MMEACE2
SCHEMBL9970972 0.78 ELANE (1.00) ELANEPRTN3
SCHEMBL4163321 0.76 ELANE (0.60) ELANEPRTN3ATMECE1MME
SCHEMBL8740045 0.76 ELANE (0.60) ELANEPRTN3ATMECE1MME
SCHEMBL11567174 0.76 ELANE (0.60) ELANEPRTN3ATMECE1MME
SCHEMBL5073962 0.76 ELANE (0.54) ELANEPRTN3ECE1MMEACE2

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