SCHEMBL9405299

SCHEMBL9405299

CCC(CO)(CO)COC(=O)CO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.34
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL1003214 0.87 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4625213 0.86 MAPK1 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11357274 0.83 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4820921 0.83 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18309143 0.83 SMN1; SMN2 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL23041376 0.83 DGKA (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7708371 0.82 MGAM (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18309133 0.82 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2762200 0.81 MAPK1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7606318 0.80 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6287585-A None JP disclosed
CN-106631779-B Polyol esters and their use in processing halogenated vinyl polymers 济南金昌树新材料科技有限公司 2020-07-14 CN disclosed
JP-H06287585-A SYNTHETIC LUBRICATING OIL SANKEN KAKO KK 1994-10-11 JP disclosed
US-4132839-A Biodegradable hydrophilic foams and method W. R. GRACE & CO. (US) 1979-01-02 US disclosed
US-4049592-A Biodegradable hydrophilic foams and method W. R. GRACE & CO. (US) 1977-09-20 US disclosed