SCHEMBL9691680

SCHEMBL9691680

COC(=O)C1OC1(C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ITGA4 P13612 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL2138555 0.81 L3MBTL1 (0.32)
SCHEMBL903246 0.75
SCHEMBL9691853 0.67 PPM1B (0.32) ALDH1A1MAPTITGA4GAACYP1A2
SCHEMBL9692186 0.65 PPM1B (0.32) ALDH1A1MAPTITGA4GAA
SCHEMBL10266772 0.64 ALDH1A1 (0.47) ALDH1A1MAPTITGA4GAA
SCHEMBL12826506 0.64 ALDH1A1 (0.47) ALDH1A1MAPTITGA4GAA
SCHEMBL2749036 0.64 ALDH1A1 (0.47) ALDH1A1MAPTITGA4GAA
SCHEMBL9979878 0.64 ALDH1A1 (0.47) ALDH1A1MAPTITGA4GAA
SCHEMBL675867 0.64 ALDH1A1 (0.47) ALDH1A1MAPTITGA4GAA
SCHEMBL9692709 0.64 DNTT (0.33) ALDH1A1MAPTITGA4

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
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed