SCHEMBL29142156

SCHEMBL29142156

C1CCC(CC2CO2)CC1.O=C(O)c1cc2c(cc1C(=O)OCC1CO1)O2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
DHFR P00374 1/20 0.37
MGLL Q99685 2/20 0.36
EGFR P00533 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28356017 0.83 DHFR (0.47) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL27139529 0.80 DHFR (0.44) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL7179948 0.80 DHFR (0.44) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL31651033 0.80 DHFR (0.44) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL28332745 0.80 DHFR (0.44) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL157854 0.74 DHFR (0.48) TP53CYP3A4DHFRMGLLMAPK1
SCHEMBL19056796 0.73 DHFR (0.47) DHFRMGLLMAPK1L3MBTL1
Cyclohexane SCHEMBL28117089 0.72 DHFR (0.52) DHFRMGLLMAPK1L3MBTL1
SCHEMBL9727346 0.71 ALDH1A1 (0.52) MGLLMAPK1
SCHEMBL27669935 0.71 ALDH1A1 (0.42) TP53CYP3A4DHFRMGLL

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
CN-113861132-B Preparation method of 4, 5-epoxy tetrahydrophthalic acid glycidyl ester 浙江工业大学 2023-11-24 CN disclosed