SCHEMBL7940416

SCHEMBL7940416

CC(C)(C)c1cc(CNCCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.50
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN2A Q99250 2/20 0.39
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
HSPA5 P11021 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CA12 O43570 3/20 0.35

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
SCHEMBL7943209 0.96 GSR (0.51) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL11593073 0.93 GSR (0.46) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL6053706 0.91 GSR (0.47) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL7933905 0.90 GSR (0.62) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL6053408 0.88 GSR (0.50) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL7933606 0.86 HSPA5 (0.55) GSRALDH1A1GAAMAPK1HTT
SCHEMBL24871017 0.85 GSR (0.45) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL31043275 0.85 ALDH1A1 (0.47) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL28789635 0.82 GSR (0.45) GSRNR5A2NR5A1ALDH1A1GAA
SCHEMBL7933726 0.81 HSPA5 (0.57) GSRALDH1A1GAAMAPK1HTT

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