SCHEMBL8309788

SCHEMBL8309788

CC(C)(C)c1cc(SCCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.55
HPN P05981 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
PTGS1 P23219 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9163619 0.91 VCAM1 (0.50) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL7699048 0.90 VCAM1 (0.56) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9328109 0.89 VCAM1 (0.57) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9489745 0.88 VCAM1 (0.60) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9489568 0.88 VCAM1 (0.60) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9489600 0.88 VCAM1 (0.60) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9491761 0.88 VCAM1 (0.60) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9497169 0.87 HPN (0.50) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9347028 0.85 VCAM1 (0.52) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9550708 0.84 HPN (0.47) VCAM1HPNMAPTALOX15SIRT5

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 9 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-3203540-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM Corporation (JP) 2017-08-09 EP disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 EP disclosed
US-5091569-A Enzyme inhibitors; anti-oxidants to lipids; arteriosclerosis, antiallergens, antiulcer and antiinflammatory agents SHIONOGI & CO., LTD. (JP) 1992-02-25 US 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
US-4690995-A Copolymers containing high concentrations of phenol antioxidant units THE DOW CHEMICAL COMPANY (US) 1987-09-01 US disclosed