SCHEMBL3353518

SCHEMBL3353518

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2C=CC(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.44
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7195989 0.93 RXRA (0.40) SMN1; SMN2GABBR2GABBR1HSD17B10ALDH1A1
SCHEMBL4413753 0.87 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL475645 0.87 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL9820498 0.82 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL9820535 0.82 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL14673352 0.81 HSPA5 (0.43) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.80 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.80 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.80 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL7189547 0.79 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2

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
EP-2172512-B1 Granular stabilizer for polymer and production process thereof SUMITOMO CHEMICAL CO (JP) 2013-04-03 EP disclosed
EP-2172512-A1 Granular stabilizer for polymer and production process thereof Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed