SCHEMBL7933606

SCHEMBL7933606

Cc1cc(CNCCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.55
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HIF1A Q16665 2/20 0.54
GSR P00390 2/20 0.50
CYP2D6 P10635 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA2 P00918 5/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
SCN2A Q99250 2/20 0.41
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7933726 0.96 HSPA5 (0.57) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7942924 0.90 GSR (0.62) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9053272 0.88 HSPA5 (0.66) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7940416 0.86 GSR (0.50) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7943209 0.81 GSR (0.51) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7941377 0.81 GSR (0.48) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL6651026 0.80 HSPA5 (0.64) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL6567368 0.80 HSPA5 (0.64) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL6568862 0.79 HSPA5 (0.62) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7941177 0.79 GSR (0.79) CYP2C9CYP2C19SMN1; SMN2HIF1AGSR

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