SCHEMBL14899949

SCHEMBL14899949

CCC1=C(C(=O)OCCO)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.82
▸ CYP2C9 P11712 4/20 0.82

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
SCHEMBL2894380 0.90 ELANE (1.00) ELANECYP2C9
SCHEMBL3707890 0.90 ELANE (1.00) ELANECYP2C9
SCHEMBL14899941 0.90 ELANE (0.71) ELANECYP2C9
SCHEMBL14899943 0.87 ELANE (0.63) ELANECYP2C9
SCHEMBL6295870 0.86 ELANE (0.81) ELANECYP2C9
SCHEMBL1134170 0.86 ELANE (0.81) ELANECYP2C9
SCHEMBL14899925 0.85 ELANE (0.89) ELANECYP2C9
SCHEMBL2891969 0.84 ELANE (0.78) ELANECYP2C9
SCHEMBL3482731 0.84 ELANE (1.00) ELANECYP2C9
SCHEMBL1764353 0.84 ELANE (1.00) ELANECYP2C9

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-1546113-B1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER IP GMBH (DE) 2013-05-01 — — EP disclosed
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