SCHEMBL9328087

SCHEMBL9328087

CCOC(=O)C=CCCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
VCAM1 P19320 7/20 0.39
HPN P05981 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
HMGCR P04035 1/20 0.37
CNKSR1 Q969H4 1/20 0.36

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
SCHEMBL9810864 1.00 MAPT (0.43) MAPTCYP3A4ALDH1A1TTRDPP4
SCHEMBL9328360 0.83 MAPT (0.44) MAPTCYP3A4ALDH1A1VCAM1HPN
SCHEMBL9328370 0.83 MAPT (0.44) MAPTCYP3A4ALDH1A1VCAM1HPN
SCHEMBL9550806 0.75 MAPT (0.50) MAPTCYP3A4ALDH1A1VCAM1HPN
SCHEMBL6910749 0.74 CYP3A4 (0.61) CYP3A4TTRDPP4NR1I2HMGCR
SCHEMBL6910750 0.74 CYP3A4 (0.61) CYP3A4TTRDPP4NR1I2HMGCR
SCHEMBL27904472 0.73 CYP3A4 (0.59) CYP3A4TTRDPP4NR1I2HMGCR
SCHEMBL646924 0.72 ALOX15 (0.63) MAPTCYP3A4ALDH1A1VCAM1HPN
SCHEMBL9328270 0.72 MAPT (0.41) MAPTCYP3A4ALDH1A1VCAM1HPN
SCHEMBL9328259 0.72 MAPT (0.41) MAPTCYP3A4ALDH1A1VCAM1HPN

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
US-5002967-A Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1991-03-26 US 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