SCHEMBL7792834

SCHEMBL7792834

COc1c(CCC(=O)O)cc(C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.42
HSPA5 P11021 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR1H4 Q96RI1 1/20 0.39
VCAM1 P19320 2/20 0.39
IMPDH2 P12268 1/20 0.37
TNFRSF1A P19438 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL7792696 0.86 NPSR1 (0.42) NPSR1HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7792466 0.85 NR1H4 (0.45) NPSR1POLBNR1H4VCAM1TNFRSF1A
SCHEMBL7786605 0.85 HSPA5 (0.44) POLBHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL14874472 0.85 CYP4F2 (0.43) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7523213 0.81 NPSR1 (0.55) NPSR1POLBIMPDH2ALDH1A1PTGER1
SCHEMBL7933984 0.81 ALDH1A1 (0.37) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3440651 0.80 HSPA5 (0.62) NPSR1POLBHSPA5CYP2C9CYP2C19
SCHEMBL29504926 0.80 HSPA5 (0.62) NPSR1POLBHSPA5CYP2C9CYP2C19
SCHEMBL8606369 0.79 KMT2A (0.41) POLBHSPA5SMN1; SMN2
SCHEMBL14999492 0.79 HSPA5 (0.46) POLBHSPA5CYP2C9CYP2C19HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed