SCHEMBL13844189

SCHEMBL13844189

C=CCC(CCCC(=O)C(C)(C)C)OC(C)(C)C(C)(C)C(=O)C(OC(C)(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL13844192 0.81
SCHEMBL13768105 0.80 CYP2C19 (0.39) CYP2C19L3MBTL1SMN1; SMN2MAPT
SCHEMBL13844104 0.79
SCHEMBL14035474 0.78 CYP2C19 (0.35) CYP2C19L3MBTL1SMN1; SMN2MAPT
SCHEMBL13844096 0.78 CYP3A4 (0.31) CYP2C19
SCHEMBL14035387 0.76 CYP2C19 (0.37) CYP2C19L3MBTL1SMN1; SMN2MAPT
SCHEMBL14035476 0.76
SCHEMBL13844210 0.71 ALDH1A1 (0.31)
SCHEMBL13844228 0.70 ALDH1A1 (0.31)
SCHEMBL13513681 0.69 PRKCA (0.33) SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP disclosed