SCHEMBL11510491

SCHEMBL11510491

CC(C)(C)c1ccc(C(=O)OCC(CO)(CO)CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
HIF1A Q16665 2/20 0.51
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SRD5A2 P31213 1/20 0.43

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
SCHEMBL13064930 0.87 MAPK1 (0.58) MAPK1HIF1AMAPTTDP1L3MBTL1
SCHEMBL10616677 0.87 SERPINE1 (0.46) MAPK1HIF1ACA1CA2MAPT
SCHEMBL18477456 0.84 CA1 (0.49) MAPK1HIF1ACA1CA2MAPT
Ethylene Glycol SCHEMBL10616673 0.83 CA1 (0.46) MAPK1HIF1ACA1CA2MAPT
SCHEMBL12930117 0.83 MAPK1 (0.65) MAPK1HIF1AMAPTTDP1L3MBTL1
SCHEMBL12930116 0.83 MAPK1 (0.65) MAPK1HIF1AMAPTTDP1L3MBTL1
SCHEMBL2687527 0.81 MAPK1 (0.61) MAPK1HIF1ACA1CA2MAPT
SCHEMBL6906425 0.81 MAPK1 (0.56) MAPK1HIF1ACA1CA2MAPT
SCHEMBL5456918 0.80 HDAC1 (0.52) MAPK1CA1CA2MAPTTDP1
SCHEMBL4577511 0.80 CA1 (0.41) MAPK1HIF1ACA1CA2MAPT

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-4134868-A Aromatic carboxylic acid ester stabilizers for PVC resins ARGUS CHEMICAL CORPORATION (US) 1979-01-16 US disclosed