SCHEMBL31499362

SCHEMBL31499362

COC(=O)[C@]1(C(=O)OC(C)(C)C)CCCN1CC(O)CO

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 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
SCHEMBL31499365 1.00 CYP4F2 (0.32) CYP4F2CYP4A11MAPTATM
SCHEMBL4959664 0.77 PPIA (0.32) CYP4F2CYP4A11MAPT
SCHEMBL998215 0.74 HPGD (0.35) CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL30415065 0.73 EPHX1 (0.33) CYP4F2CYP4A11
SCHEMBL17595509 0.71 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL9854762 0.69 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL19281600 0.67 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL15922454 0.66 GRIN2B (0.39)
SCHEMBL3578169 0.66 ALDH1A1 (0.32) CYP4F2CYP4A11MAPT
SCHEMBL18301541 0.66 MMP1 (0.33) CYP4F2CYP4A11

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-119504653-A Carboxylic acid amidation method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed