SCHEMBL7941206

SCHEMBL7941206

CC(C)(C)c1cc(CCC(=O)OCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
CYP2C19 P33261 3/20 0.35
HSPA5 P11021 1/20 0.35
MGLL Q99685 1/20 0.35
CYP2C9 P11712 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
APP P05067 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL11817566 0.91 GAA (0.38) VCAM1GAAALDH1A1XBP1MAPK1
SCHEMBL2098961 0.90 NR5A2 (0.40) VCAM1GAAALDH1A1XBP1MAPK1
SCHEMBL7942389 0.88 CYP2C19 (0.39) VCAM1ALDH1A1CYP2C19MGLLCYP2C9
Ethane SCHEMBL9248574 0.88 GAA (0.40) VCAM1GAAALDH1A1XBP1MAPK1
SCHEMBL28060756 0.87 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL7940083 0.87 HSPA5 (0.51) VCAM1GAAALDH1A1CYP2C19HSPA5
SCHEMBL27450776 0.86 CYP4F2 (0.44) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL3163194 0.85 GAA (0.39) VCAM1GAAALDH1A1XBP1MAPK1
SCHEMBL29634849 0.85 GAA (0.39) VCAM1GAAALDH1A1XBP1MAPK1
SCHEMBL2022442 0.85 GAA (0.39) VCAM1GAAALDH1A1XBP1MAPK1

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