SCHEMBL7942924

SCHEMBL7942924

Cc1cc(CNCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.62
HSPA5 P11021 2/20 0.60
CYP2C9 P11712 5/20 0.58
CYP2C19 P33261 5/20 0.58
HIF1A Q16665 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP2D6 P10635 3/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 5/20 0.52
CA2 P00918 2/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
SCN2A Q99250 2/20 0.39
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CYP1A2 P05177 4/20 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
SCHEMBL9053272 0.92 HSPA5 (0.66) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7933726 0.91 HSPA5 (0.57) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7933606 0.90 HSPA5 (0.55) GSRHSPA5CYP2C9CYP2C19HIF1A
Butylated Hydroxytoluene SCHEMBL8843671 0.85 ALDH1A1 (0.67) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7933905 0.84 GSR (0.62) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL6651026 0.84 HSPA5 (0.64) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7942407 0.81 KMT2A (0.51) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL7941230 0.79 GSR (0.59) GSRHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL11330811 0.78 HSPA5 (0.70) GSRHSPA5CYP2C9CYP2C19HIF1A
Ethylene Glycol SCHEMBL11769531 0.78 HSPA5 (0.89) GSRHSPA5CYP2C9CYP2C19HIF1A

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