SCHEMBL9011667

SCHEMBL9011667

CC(C)C(NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O)C(=O)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.77
CASP1 P29466 1/20 0.61
CTRC Q99895 2/20 0.56

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
SCHEMBL7286170 0.90 ELANE (0.80) ELANECTRC
SCHEMBL7273838 0.85 ELANE (1.00) ELANE
SCHEMBL7273977 0.85 ELANE (0.78) ELANE
SCHEMBL7284273 0.85 ELANE (1.00) ELANE
SCHEMBL7285191 0.85 ELANE (0.77) ELANE
SCHEMBL7276915 0.82 ELANE (1.00) ELANE
SCHEMBL7286188 0.81 ELANE (0.90) ELANE
SCHEMBL949229 0.78 CASP1 (0.69) CASP1
SCHEMBL7276088 0.78 ELANE (1.00) ELANE
SCHEMBL7276825 0.77 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