SCHEMBL7944731

SCHEMBL7944731

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.49
SCN2A Q99250 2/20 0.41
HSPA5 P11021 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HIF1A Q16665 4/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
CA2 P00918 2/20 0.35
TYR P14679 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
MAPT P10636 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
SCHEMBL7941377 0.96 GSR (0.48) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL7941230 0.92 GSR (0.59) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL7933726 0.80 HSPA5 (0.57) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL7943209 0.80 GSR (0.51) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL28492613 0.77 HSPA5 (0.43) GSRHSPA5CYP3A4CYP2C9CYP2C19
SCHEMBL7943330 0.76 GSR (0.81) GSRSCN2ACYP3A4CYP2C9CYP2C19
SCHEMBL7933606 0.76 HSPA5 (0.55) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL7940416 0.76 GSR (0.50) GSRSCN2AHSPA5CYP3A4CYP2C9
SCHEMBL10708543 0.75 HSPA5 (0.56) HSPA5CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7940078 0.75 HSPA5 (0.36) GSRSCN2AHSPA5CYP3A4CYP2C9

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