SCHEMBL23129883

SCHEMBL23129883

CC(C)C(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CNC(N)=O)C2

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.31

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
SCHEMBL23130041 0.91 PARP1 (0.32) PARP1
SCHEMBL23130040 0.91 PARP1 (0.32) PARP1
SCHEMBL18966608 0.90 MTNR1A (0.34) —
SCHEMBL17337148 0.90 PRKCB (0.34) PARP1
SCHEMBL17337140 0.90 PRKCB (0.34) PARP1
SCHEMBL17337191 0.88 TSHR (0.35) PARP1
SCHEMBL17337186 0.88 TSHR (0.35) PARP1
SCHEMBL18966830 0.85 DRD2 (0.31) —
SCHEMBL18957034 0.84 NAMPT (0.32) —
SCHEMBL18966519 0.84 — —

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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