SCHEMBL22339447

SCHEMBL22339447

CN1C=C(B2OC(C)(C)C(C)(C)O2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL17801594 0.71 USP30 (0.36) P2RX7MAPK1
SCHEMBL14330689 0.71 P2RX7 (0.57) P2RX7MAPK1
SCHEMBL865956 0.71 MAPK1 (0.50) P2RX7MAPK1
SCHEMBL22212831 0.70 P2RX7 (0.53) P2RX7MAPK1
SCHEMBL1303484 0.68 P2RX7 (0.42) P2RX7MAPK1
SCHEMBL14158145 0.67 P2RX7 (0.41) P2RX7MAPK1
SCHEMBL242233 0.66 P2RX7 (0.43) P2RX7MAPK1
SCHEMBL22197024 0.65 P2RX7 (0.36) P2RX7MAPK1
SCHEMBL30965858 0.65 P2RX7 (0.80) P2RX7MAPK1
SCHEMBL1304123 0.65 P2RX7 (0.46) P2RX7MAPK1

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed