SCHEMBL23110417

SCHEMBL23110417

CC1CC(C)(CO)OC1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 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
SCHEMBL23374138 0.78 KDM4E (0.30)
SCHEMBL10149500 0.78 KDM4E (0.30)
SCHEMBL23171490 0.68
SCHEMBL9943069 0.67
SCHEMBL13884405 0.67 KDM4E (0.33) EPHX1
SCHEMBL13877874 0.67 KDM4E (0.33) EPHX1
SCHEMBL13877824 0.67 KDM4E (0.33) EPHX1
SCHEMBL21082361 0.65 GLB1 (0.31)
SCHEMBL12899666 0.65 GAA (0.31)
SCHEMBL10967639 0.64

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-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 WO disclosed