SCHEMBL8654152

SCHEMBL8654152

CCCC(C(=O)NC(=O)NCCc1ccccc1)n1c(-c2ccccc2)ccc(NC(=O)OCc2cccc(C)n2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.41
ELANE P08246 17/20 0.39
CTRC Q99895 3/20 0.38

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
SCHEMBL8654148 0.76 ELANE (0.41) ELANECTRC
SCHEMBL8624804 0.75 ELANE (0.46) ELANECTRC
SCHEMBL8628528 0.75 ELANE (0.45) ELANECTRC
SCHEMBL7545819 0.71 ELANE (0.58) ELANECTRC
SCHEMBL7440506 0.71 ELANE (0.68) ELANECTRC
SCHEMBL7546824 0.68 ELANE (0.54) ELANECTRC
SCHEMBL8994541 0.67 ELANE (0.51) ELANECTRC
SCHEMBL8859916 0.61 CASP1 (0.54) CASP1
SCHEMBL7703522 0.61 NPC1 (0.52) CASP1ELANECTRC
SCHEMBL23753620 0.59 NPC1 (0.53) CASP1ELANE

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
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed