SCHEMBL9550806

SCHEMBL9550806

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HPN P05981 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
CA2 P00918 2/20 0.42

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
SCHEMBL8834406 0.90 MAPT (0.47) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL646924 0.84 ALOX15 (0.63) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8310178 0.83 MAPT (0.53) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8702044 0.80 ALOX15 (0.59) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9328360 0.80 MAPT (0.44) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9328370 0.80 MAPT (0.44) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8493361 0.79 ALOX15 (0.57) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL11279591 0.79 ALOX15 (0.57) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8834137 0.79 MAPT (0.57) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9154935 0.79 ALOX15 (0.57) MAPTHPNALOX15SIRT5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229421-A Antiallergens, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5208262-A Administering 4-hydroxythiophenol derivatives G. D. SEARLE & CO. (US) 1993-05-04 US disclosed
US-5162365-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1992-11-10 US disclosed
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 US disclosed
US-5036105-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1991-07-30 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-0218782-B1 LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-16 EP disclosed
US-4857558-A ANTIINFLAMMATORY AGENTS AND-OR ANTIALLERGENS G. D. SEARLE & CO. (US) 1989-08-15 US disclosed
US-4801611-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1989-01-31 US disclosed
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 US disclosed
US-4711903-A ANTIINFLAMMATORY, ANTIALLERGY AGENTS G. D. SEARLE & CO. (US) 1987-12-08 US disclosed
EP-0218782-A1 Lipoxygenase-inhibiting composition and hydroxyphenylthioalkylcarbonyl compounds G.D. Searle & Co. (US) 1987-04-22 EP disclosed