SCHEMBL7940083

SCHEMBL7940083

Cc1cc(CCC(=O)OCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
VCAM1 P19320 4/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
GAA P10253 1/20 0.35
MGLL Q99685 1/20 0.35
APP P05067 1/20 0.34
ALOX5 P09917 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
SCHEMBL3173292 0.95 HSPA5 (0.57) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944981 0.92 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30115160 0.91 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL466560 0.91 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL15703447 0.90 HSPA5 (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL31279673 0.88 HSPA5 (0.50) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3809307 0.87 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941206 0.87 VCAM1 (0.39) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29200155 0.86 HSPA5 (0.48) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7933984 0.85 ALDH1A1 (0.37) 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