SCHEMBL8018893

SCHEMBL8018893

CCC(CO)(CO)NC(=O)CCc1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.49
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 5/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL8028524 0.89 GAA (0.41) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7933847 0.87 HSPA5 (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7942322 0.84 GAA (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8030261 0.83 GAA (0.62) CYP2C9CYP2C19HIF1ASMN1; SMN2CYP2D6
SCHEMBL7941106 0.82 IAPP (0.42) SMN1; SMN2GAAKMT2AALDH1A1CA2
SCHEMBL7940420 0.81 GAA (0.53) CYP2C9CYP2C19HIF1ASMN1; SMN2GAA
SCHEMBL7941083 0.80 GAA (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7944770 0.78 HSPA5 (0.47) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7943132 0.78 GAA (0.51) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3440651 0.77 HSPA5 (0.62) 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-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