SCHEMBL11804340

SCHEMBL11804340

C=C(C(=O)OCC(CC)(CO)CO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.38
CYP2D6 P10635 2/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL14547607 0.85 MAPK1 (0.49) MAPK1HIF1ATDP1ALDH1A1MAPT
Benzoic Acid SCHEMBL2099291 0.85 TDP1 (0.45) MAPK1HIF1ATDP1ATMALDH1A1
SCHEMBL505769 0.81 MAPK1 (0.71) MAPK1HIF1ATDP1ALDH1A1LMNA
SCHEMBL644017 0.81 MAPK1 (0.56) MAPK1HIF1ATDP1ALDH1A1MAPT
Methacrylic Acid SCHEMBL36396 0.80 MAPK1 (0.59) MAPK1HIF1ATDP1ALDH1A1MAPT
SCHEMBL4908891 0.80 TDP1 (0.54) MAPK1HIF1ATDP1ATMALDH1A1
SCHEMBL11804358 0.80 ATM (0.40) MAPK1HIF1ATDP1ATMALDH1A1
SCHEMBL8858245 0.80 TDP1 (0.54) MAPK1HIF1ATDP1ATMALDH1A1
SCHEMBL11804351 0.79 TDP1 (0.43) MAPK1HIF1ATDP1ATMALDH1A1
SCHEMBL11436193 0.78 MAPK1 (0.71) MAPK1HIF1ATDP1ALDH1A1LMNA

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-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 US disclosed