SCHEMBL6130888

SCHEMBL6130888

COC(=O)COP(=O)(O)C(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
PRTN3 P24158 2/20 0.57
KYNU Q16719 1/20 0.47
ATM Q13315 1/20 0.46
ECE1 P42892 2/20 0.46
MME P08473 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL6130869 0.91 ELANE (0.63) ELANEPRTN3ATMECE1MME
SCHEMBL5076528 0.87 ELANE (0.67) ELANEPRTN3KYNUATMECE1
SCHEMBL2353879 0.82 ELANE (0.72) ELANEPRTN3KYNUATMECE1
SCHEMBL2353877 0.82 ELANE (0.72) ELANEPRTN3KYNUATMECE1
SCHEMBL6923368 0.76 KYNU (0.57) ELANEPRTN3KYNUATMECE1
SCHEMBL6923362 0.76 KYNU (0.57) ELANEPRTN3KYNUATMECE1
SCHEMBL2353547 0.76 ELANE (0.60) ELANEPRTN3KYNUECE1MME
SCHEMBL9970972 0.76 ELANE (1.00) ELANEPRTN3KLK1
SCHEMBL9152554 0.75 ELANE (0.62) ELANEPRTN3KYNUATMECE1
SCHEMBL9152551 0.75 ELANE (0.62) ELANEPRTN3KYNUATMECE1

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