SCHEMBL24378043

SCHEMBL24378043

CN(C)CCC1(C)COC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
KCNH2 Q12809 1/20 0.37

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
SCHEMBL22298276 0.81 EPHX1 (0.41) EPHX1
SCHEMBL15966121 0.79 EPHX1 (0.39) EPHX1
SCHEMBL24782792 0.76 EPHX1 (0.41) EPHX1
SCHEMBL9941967 0.74
SCHEMBL13130049 0.73 EPHX1 (0.52) EPHX1
SCHEMBL19122126 0.72 UGT2B7 (0.32)
SCHEMBL3437284 0.70
SCHEMBL26740074 0.70 EPHX1 (0.50) EPHX1
SCHEMBL23762973 0.70
SCHEMBL1257649 0.69

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-3988551-A1 CDK KINASE INHIBITOR Beijing Benicall Biotech Co., Ltd. (CN) 2022-04-27 EP disclosed