SCHEMBL11249412

SCHEMBL11249412

CCC(=O)OCC(N)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL8342617 0.81 ALDH1A1 (0.43) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL259571 0.81 ALDH1A1 (0.43) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL17083541 0.81 ALDH1A1 (0.48) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL11245129 0.80 LMNA (0.36) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL11234231 0.80 DGKA (0.51) ALDH1A1MAPK1MEN1LMNAKMT2A
SCHEMBL11241652 0.80 DGKA (0.51) ALDH1A1MAPK1MEN1LMNAKMT2A
SCHEMBL11238780 0.80 DGKA (0.51) ALDH1A1MAPK1MEN1LMNAKMT2A
Hydrogen Sulfide SCHEMBL21904608 0.79 ALDH1A1 (0.42) NAAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL20865631 0.79 NAAA (0.39) NAAAALDH1A1HIF1ALMNACYP1A2
SCHEMBL1003214 0.78 ALDH1A1 (0.41) NAAAALDH1A1HIF1ATP53CYP3A4

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
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed