SCHEMBL5690441

SCHEMBL5690441

C=CC(C)(COC(=O)CC)OC(=O)CC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 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
SCHEMBL5689448 0.82 ALDH1A1 (0.38) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL982742 0.75 ALDH1A1 (0.35) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL14087276 0.74 ALDH1A1 (0.37) NAAAALDH1A1TSHR
SCHEMBL5690439 0.73 GAA (0.38) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL538489 0.73 ALOX15 (0.47) ALDH1A1HIF1ACYP3A4TSHR
SCHEMBL1870227 0.73 ALOX15 (0.47) ALDH1A1HIF1ACYP3A4TSHR
SCHEMBL1326486 0.73 NAAA (0.44) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL19625553 0.72 ALDH1A1 (0.60) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL28154026 0.71 NAAA (0.40) NAAAALDH1A1HIF1ACYP1A2HPGD
SCHEMBL14472846 0.71 NAAA (0.43) NAAAALDH1A1HIF1ACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631645-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2006-03-08 EP disclosed
WO-2004106470-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed