SCHEMBL9638732

SCHEMBL9638732

CC(C)(C)c1cc(SOSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HPN P05981 1/20 0.63
ALOX15 P16050 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
CA2 P00918 4/20 0.54
CA1 P00915 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
VCAM1 P19320 4/20 0.45
NISCH Q9Y2I1 1/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL15106474 0.88 CYP2C9 (0.55) MAPTHPNALOX15SIRT5CA2
SCHEMBL3177529 0.79 ALOX15 (0.71) MAPTHPNALOX15SIRT5CA2
SCHEMBL1116345 0.79 ALOX15 (0.71) MAPTHPNALOX15SIRT5CA2
SCHEMBL10703508 0.79 MAPT (0.53) MAPTHPNALOX15SIRT5CA2
SCHEMBL27878255 0.78 ALDH1A1 (0.53) MAPTHPNALOX15SIRT5SMN1; SMN2
Probucol SCHEMBL4150 0.77 HPN (1.00) MAPTHPNALOX15SIRT5CA2
SCHEMBL8311264 0.77 MAPT (0.68) MAPTHPNALOX15SIRT5CA2
Probucol SCHEMBL5143451 0.77 HPN (1.00) MAPTHPNALOX15SIRT5CA2
SCHEMBL9506457 0.76 HPN (0.79) MAPTHPNALOX15SIRT5CA2
Probucol SCHEMBL8344652 0.76 ALOX15 (0.95) MAPTHPNALOX15SIRT5CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104212133-B A kind of heat-resisting pet resin composition and method of making the same SUZHOU YUNSHU NEW MATERIAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2015-11-04 CN claimed
CN-105949603-A Antioxidative and anti-degradation cable sheath and preparation method thereof 苏州泰尚新材料有限公司 2016-09-21 CN disclosed
US-5153183-A Antiarthritic agents TORAY INDUSTRIES, INC. (JP) 1992-10-06 US disclosed
EP-0440809-A1 METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 1991-08-14 EP disclosed
US-4613642-A ANTIOXIDANTS FOR POLYOLEFINS ETHYL CORPORATION (US) 1986-09-23 US disclosed