SCHEMBL7942348

SCHEMBL7942348

Cc1cc(COCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.60
CYP2C9 P11712 5/20 0.58
CYP2C19 P33261 5/20 0.58
HIF1A Q16665 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP2D6 P10635 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 5/20 0.52
CA2 P00918 3/20 0.52
POLB P06746 2/20 0.52
TYR P14679 1/20 0.52
CYP1A2 P05177 3/20 0.40
MAPK1 P28482 2/20 0.36
GSR P00390 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.36
LMNA P02545 3/20 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
SCHEMBL7940325 0.91 HSPA5 (0.57) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7942457 0.90 HSPA5 (0.55) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941036 0.84 ALDH1A1 (0.42) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7940191 0.82 HSPA5 (0.41) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL12309156 0.80 HSPA5 (0.68) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7943106 0.79 HSPA5 (0.38) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
Triethylene Glycol SCHEMBL466561 0.78 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11330811 0.78 HSPA5 (0.70) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
Ethylene Glycol SCHEMBL11769531 0.78 HSPA5 (0.89) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7940460 0.78 CYP1A2 (0.47) 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 3 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
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed