SCHEMBL7942439

SCHEMBL7942439

CC(C)(C)c1cc(CCCC(=O)OCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.49
GAA P10253 4/20 0.48
KMT2A Q03164 4/20 0.45
TNKS2 Q9H2K2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
GSR P00390 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL7942276 0.96 VCAM1 (0.50) VCAM1GAAKMT2ATNKS2ALDH1A1
SCHEMBL7942356 0.93 GAA (0.52) VCAM1GAAKMT2AALDH1A1MAPK1
SCHEMBL7933616 0.93 GAA (0.49) VCAM1GAAKMT2AALDH1A1MAPK1
SCHEMBL7941324 0.92 VCAM1 (0.43) VCAM1GAAKMT2ATNKS2ALDH1A1
SCHEMBL30298873 0.92 GAA (0.50) VCAM1GAAKMT2ATNKS2ALDH1A1
SCHEMBL4268981 0.89 GAA (0.51) VCAM1GAAKMT2AALDH1A1MAPK1
SCHEMBL7941216 0.89 VCAM1 (0.44) VCAM1GAAKMT2ATNKS2GSR
SCHEMBL20695593 0.88 GAA (0.50) VCAM1GAAKMT2AALDH1A1MAPK1
SCHEMBL27614591 0.88 GAA (0.50) VCAM1GAAKMT2AALDH1A1MAPK1
Ethylene Glycol SCHEMBL20954190 0.88 GAA (0.52) VCAM1GAAKMT2AALDH1A1MAPK1

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed