SCHEMBL8699698

SCHEMBL8699698

O=C(O)[C@H](Cc1ccccc1)Nc1nc2cccc(Cl)c2c(=O)o1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.59
C1R P00736 2/20 0.50
CTRB1 P17538 3/20 0.45

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
SCHEMBL6499915 0.87 ELANE (0.62) ELANECTRB1
SCHEMBL27493723 0.87 ELANE (0.62) ELANECTRB1
SCHEMBL8702543 0.83 ELANE (0.82) ELANE
SCHEMBL8700258 0.83 ELANE (0.82) ELANE
SCHEMBL6506092 0.80 ELANE (0.61) ELANECTRB1
SCHEMBL6500714 0.80 ELANE (0.58) ELANECTRB1
SCHEMBL6595086 0.78 ELANE (0.74) ELANECTRB1
SCHEMBL27477143 0.78 ELANE (0.74) ELANECTRB1
SCHEMBL6497584 0.77 ELANE (0.62) ELANECTRB1
SCHEMBL6496872 0.77 ELANE (0.53) ELANE

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
WO-1998033783-A1 SOLID PHASE AND COMBINATORIAL LIBRARY SYNTHESES OF 3,1-BENZOXAZINE-4-ONES VERSICOR, INC. (US) 1998-08-06 WO disclosed