SCHEMBL6259612

SCHEMBL6259612

CCOP(=O)(OCC)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.58
CTSK P43235 5/20 0.53
KLK1 P06870 1/20 0.53
PRTN3 P24158 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ATM Q13315 1/20 0.52
TP53 P04637 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
KYNU Q16719 1/20 0.50

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
SCHEMBL12942520 0.86 ELANE (0.61) ELANECTSKKLK1PRTN3ATM
SCHEMBL1239037 0.85 KYNU (0.55) ELANEKLK1PRTN3ATMTP53
SCHEMBL26854257 0.85 KYNU (0.55) ELANEKLK1PRTN3ATMTP53
SCHEMBL15549899 0.85 ELANE (0.54) ELANEKLK1PRTN3HSD17B10ATM
SCHEMBL14376753 0.84 F2 (0.63) ELANEACE2
SCHEMBL5689257 0.84 ELANE (0.77) ELANEKLK1PRTN3TP53
SCHEMBL10954084 0.83 ELANE (0.55) ELANECTSKPRTN3ATMACE2
SCHEMBL8740045 0.83 ELANE (0.60) ELANECTSKPRTN3ATMACE2
SCHEMBL4163321 0.83 ELANE (0.60) ELANECTSKPRTN3ATMACE2
SCHEMBL11567174 0.83 ELANE (0.60) ELANECTSKPRTN3ATMACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005067939-A1 THERAPEUTICALLY USEFUL ANTIBACTERIAL COMPOUNDS OXOID LIMITED (GB) 2005-07-28 WO disclosed