SCHEMBL7838428

SCHEMBL7838428

COC(=O)[C@H](Cc1ccc(OC)cc1)Nc1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.61
CTRB1 P17538 4/20 0.61
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL6498011 0.93 ELANE (0.63) ELANECTRB1
SCHEMBL7830822 0.92 ELANE (0.61) ELANECTRB1
SCHEMBL7837321 0.92 ELANE (0.70) ELANECTRB1
SCHEMBL7840236 0.87 ELANE (0.59) ELANECTRB1
SCHEMBL7839374 0.87 ELANE (0.59) ELANECTRB1
SCHEMBL6498606 0.87 ELANE (0.59) ELANECTRB1
SCHEMBL6640437 0.85 CTRB1 (0.55) ELANECTRB1
SCHEMBL6496223 0.85 ELANE (0.72) ELANECTRB1
SCHEMBL6499066 0.84 ELANE (0.64) ELANECTRB1
SCHEMBL6505687 0.82 ELANE (0.49) ELANECTRB1

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-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed