SCHEMBL7933847

SCHEMBL7933847

Cc1cc(CCC(=O)NC(C)(CO)CO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.51
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 6/20 0.44
ALDH1A1 P00352 4/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34
TP53 P04637 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
SCHEMBL8018893 0.87 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944861 0.87 GAA (0.44) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941083 0.82 GAA (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7933918 0.81 GAA (0.67) CYP2C9CYP2C19HIF1ASMN1; SMN2CYP2D6
SCHEMBL8030249 0.80 CA2 (0.42) SMN1; SMN2GAAALDH1A1CA2KMT2A
SCHEMBL7943132 0.80 GAA (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941225 0.79 GAA (0.57) CYP2C9CYP2C19HIF1ASMN1; SMN2GAA
SCHEMBL3440651 0.79 HSPA5 (0.62) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29504926 0.79 HSPA5 (0.62) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7941152 0.79 GAA (0.50) 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-6075159-A USE AS A STABILIZER FOR AN ORGANIC MATERIAL SUCH AS THERMOPLASTIC RESINS, THERMOSETTING RESINS, NATURAL OR SYNTHETIC RUBBERS, MINERAL OILS, LUBRICATING OILS, ADHESIVES AND PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-13 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed