SCHEMBL22926474

SCHEMBL22926474

CC1(O)CCC2(CC1)COC2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36

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
SCHEMBL8126718 0.78 ESR2 (0.31)
SCHEMBL8381883 0.78
SCHEMBL11495334 0.78
SCHEMBL23005645 0.77 EPHX1 (0.33) EPHX1
SCHEMBL22926475 0.76 LMNA (0.32)
SCHEMBL1447877 0.75
SCHEMBL922299 0.74 ESR2 (0.35)
SCHEMBL17621500 0.74
SCHEMBL23514940 0.72 OPRM1 (0.32)
Ethane SCHEMBL1011436 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023193114-A1 METHODS OF USING ATR INHIBITORS REPARE THERAPEUTICS INC. (CA) 2023-10-12 WO disclosed
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
WO-2021012049-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-01-28 WO disclosed