SCHEMBL21863409

SCHEMBL21863409

CC(=N)/C(=C\NC1CC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1A P07327 1/20 0.33
POLB P06746 1/20 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
SCHEMBL21863420 0.76 GLO1 (0.43)
SCHEMBL24612160 0.74 ADH1B (0.38) ADH1BADH1A
SCHEMBL14838890 0.73
SCHEMBL22649447 0.68 ADH1B (0.32) ADH1BADH1A
SCHEMBL10508908 0.68 CES2 (0.32)
SCHEMBL23289677 0.67
SCHEMBL23620711 0.67 ADH1B (0.34) ADH1BADH1APOLB
SCHEMBL20461192 0.66 SELL (0.35) ADH1BADH1A
SCHEMBL24539391 0.64 ADH1B (0.39) ADH1BADH1A
SCHEMBL24539390 0.63 ADH1B (0.41) ADH1BADH1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed