SCHEMBL9328016

SCHEMBL9328016

CCOC(=O)C(C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
VCAM1 P19320 11/20 0.44
HMGCR P04035 3/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL11736846 0.85 HPN (0.47) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9326923 0.82 VCAM1 (0.43) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10765658 0.82 VCAM1 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823311 0.81 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742144 0.80 ALOX5 (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823307 0.80 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328104 0.80 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550712 0.80 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9411871 0.78 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
Potassium Ion SCHEMBL11738812 0.77 HPN (0.49) HPNMAPTALOX15SIRT5VCAM1

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
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 EP claimed
EP-0293900-A2 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP claimed
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 EP disclosed
US-5002967-A Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1991-03-26 US disclosed
EP-0293900-A2 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed