SCHEMBL9506457

SCHEMBL9506457

CC(C)(C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.79
MAPT P10636 1/20 0.79
ALOX15 P16050 1/20 0.79
SIRT5 Q9NXA8 1/20 0.79
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
VCAM1 P19320 10/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
GALR3 O60755 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
Probucol SCHEMBL4150 0.88 HPN (1.00) HPNMAPTALOX15SIRT5CA2
Probucol SCHEMBL5143451 0.88 HPN (1.00) HPNMAPTALOX15SIRT5CA2
Probucol SCHEMBL8344652 0.86 ALOX15 (0.95) HPNMAPTALOX15SIRT5CA2
Probucol SCHEMBL4620631 0.86 ALOX15 (0.95) HPNMAPTALOX15SIRT5CA2
SCHEMBL21241542 0.84 HPN (0.76) HPNMAPTALOX15SIRT5CA2
SCHEMBL3177529 0.81 ALOX15 (0.71) HPNMAPTALOX15SIRT5CA2
SCHEMBL1116345 0.81 ALOX15 (0.71) HPNMAPTALOX15SIRT5CA2
SCHEMBL4985953 0.81 HPN (0.84) HPNMAPTALOX15SIRT5CA2
SCHEMBL12791592 0.81 ALOX15 (0.84) HPNMAPTALOX15SIRT5CA2
Probucol SCHEMBL8344272 0.79 HPN (0.81) HPNMAPTALOX15SIRT5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293895-B1 PHENOLIC THIOETHERS AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1993-08-11 EP disclosed
US-4847305-A Phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-07-11 US disclosed
US-4835190-A Phenolic thioethers as inhbitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-05-30 US disclosed
EP-0293895-A1 Phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed
US-4143076-A MERCAPTO PHENOLIC AND ALKYLTHIO PHENOLIC ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-03-06 US disclosed
US-4128530-A Mercapto phenolic and alkylthio phenolic antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-12-05 US disclosed
US-4128530-A Mercapto phenolic and alkylthio phenolic antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-12-05 US disclosed