SCHEMBL23837282

SCHEMBL23837282

CC(CC(F)F)C(=O)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.32
▸ GRM7 Q14831 2/20 0.32

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
SCHEMBL18957322 0.89 PARP1 (0.34) PARP1GRM7
SCHEMBL17337145 0.88 — —
SCHEMBL17337146 0.88 — —
SCHEMBL17337147 0.88 — —
SCHEMBL17337176 0.82 PTPN1 (0.35) PARP1
SCHEMBL17337179 0.82 PTPN1 (0.35) PARP1
SCHEMBL17337290 0.81 PARP1 (0.37) PARP1
SCHEMBL17337357 0.81 PARP1 (0.37) PARP1
SCHEMBL18827396 0.81 PARP1 (0.36) PARP1
SCHEMBL18683713 0.81 PARP1 (0.36) PARP1

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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