SCHEMBL9504462

SCHEMBL9504462

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
HPN P05981 1/20 0.61
MAPT P10636 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
PTGS1 P23219 1/20 0.53
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10698130 0.89 ALOX15 (0.63) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL646923 0.88 ALOX15 (0.61) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL10503818 0.85 ALOX15 (0.63) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL11739235 0.84 ALOX15 (0.57) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL9769341 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL9550779 0.82 ALOX15 (0.55) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL9852829 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL9165330 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL9168124 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5PTGS1
SCHEMBL11563339 0.81 MAPT (0.53) ALOX15HPNMAPTSIRT5PTGS1

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 claimed
US-4835190-A Phenolic thioethers as inhbitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-05-30 US claimed
EP-0293895-A1 Phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP claimed
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