SCHEMBL8028524

SCHEMBL8028524

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
KMT2A Q03164 2/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSPA5 P11021 2/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 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
SCHEMBL7942322 0.94 GAA (0.51) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL8018893 0.89 HSPA5 (0.49) GAAKMT2AALDH1A1HTTMAPK1
SCHEMBL7944861 0.86 GAA (0.44) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL8030261 0.82 GAA (0.62) GAAKMT2AALDH1A1HTTMAPK1
SCHEMBL7567813 0.82 GAA (0.49) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL30641460 0.82 GAA (0.49) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL7941106 0.81 IAPP (0.42) GAAKMT2AALDH1A1HTTNPSR1
SCHEMBL7102142 0.79 GAA (0.65) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL7943069 0.79 GAA (0.53) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL28136542 0.79 GAA (0.67) GAAKMT2ANR5A2NR5A1ALDH1A1

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