SCHEMBL7941377

SCHEMBL7941377

Cc1c(CNCCCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.48
SCN2A Q99250 2/20 0.40
HSPA5 P11021 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
HIF1A Q16665 4/20 0.35
CA2 P00918 4/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 2/20 0.33
VCAM1 P19320 1/20 0.33
MAPK1 P28482 2/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33

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
SCHEMBL7944731 0.96 GSR (0.49) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7941230 0.90 GSR (0.59) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7933606 0.81 HSPA5 (0.55) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7940416 0.81 GSR (0.50) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7941177 0.77 GSR (0.79) GSRSCN2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL28492613 0.76 HSPA5 (0.43) GSRHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7933726 0.76 HSPA5 (0.57) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7943209 0.76 GSR (0.51) GSRSCN2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL8407764 0.76 SMN1; SMN2 (0.48) GSRHSPA5SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7942997 0.76 HSPA5 (0.36) GSRSCN2AHSPA5SMN1; SMN2CYP2C9

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