SCHEMBL3353514

SCHEMBL3353514

C=C(C(=O)O)c1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.45
CYP2C19 P33261 5/20 0.44
CYP2C9 P11712 4/20 0.44
HIF1A Q16665 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL475644 0.86 HSPA5 (0.65) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL31049994 0.86 HSPA5 (0.65) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL28805032 0.86 HSPA5 (0.42) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL9820535 0.80 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL9820498 0.80 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL25367107 0.79 HSPA5 (0.59) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL2786708 0.79 CYP2C19 (0.67) 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