SCHEMBL9011841

SCHEMBL9011841

CC(CC(=O)CNC(=O)Cn1c(-c2ccc(C(=O)O)cc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.68
CTRC Q99895 3/20 0.60

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
SCHEMBL9011835 0.85 ELANE (0.67) ELANECTRC
SCHEMBL7284500 0.81 ELANE (1.00) ELANECTRC
SCHEMBL7273831 0.78 ELANE (1.00) ELANECTRC
SCHEMBL6556311 0.77 ELANE (0.79) ELANECTRC
SCHEMBL7276704 0.76 ELANE (0.68) ELANECTRC
SCHEMBL7276417 0.76 ELANE (0.75) ELANECTRC
SCHEMBL7314776 0.75 ELANE (0.61) ELANECTRC
SCHEMBL7276733 0.75 ELANE (0.88) ELANECTRC
SCHEMBL7282527 0.75 ELANE (1.00) ELANECTRC
SCHEMBL7276446 0.74 ELANE (0.70) ELANECTRC

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
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed