SCHEMBL7933726

SCHEMBL7933726

Cc1cc(CNCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.57
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
HIF1A Q16665 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GSR P00390 2/20 0.51
CYP2D6 P10635 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
CA2 P00918 2/20 0.49
TYR P14679 1/20 0.49
SCN2A Q99250 2/20 0.42
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL7933606 0.96 HSPA5 (0.55) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7942924 0.91 GSR (0.62) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL9053272 0.89 HSPA5 (0.66) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7943209 0.85 GSR (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6651026 0.81 HSPA5 (0.64) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7940416 0.81 GSR (0.50) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944731 0.80 GSR (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6565763 0.80 HSPA5 (0.66) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7943330 0.78 GSR (0.81) CYP2C9CYP2C19HIF1ASMN1; SMN2GSR
SCHEMBL6567368 0.78 HSPA5 (0.64) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2

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