SCHEMBL8994502

SCHEMBL8994502

COc1ccc(CCNC(=O)C(F)(F)C(O)C(NC(=O)Cn2c(-c3ccccc3Cl)ccc(NC(=O)OCc3ccccc3)c2=O)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.65
CTRC Q99895 5/20 0.53

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
SCHEMBL8536332 0.95 ELANE (0.71) ELANECTRC
SCHEMBL8994476 0.92 ELANE (0.68) ELANECTRC
SCHEMBL7548502 0.90 ELANE (0.71) ELANECTRC
SCHEMBL7401233 0.87 ELANE (0.69) ELANECTRC
SCHEMBL7276644 0.86 ELANE (0.76) ELANECTRC
SCHEMBL7276122 0.81 ELANE (0.77) ELANECTRC
SCHEMBL8994472 0.80 ELANE (0.79) ELANECTRC
SCHEMBL1329615 0.80 ELANE (0.65) ELANECTRC
SCHEMBL7276654 0.79 ELANE (1.00) ELANECTRC
SCHEMBL7545819 0.79 ELANE (0.58) 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-5486529-A Certain pyridyl ketones for treating diseases involving leukocyte elastase ZENECA LIMITED (GB) 1996-01-23 US disclosed