SCHEMBL9492905

SCHEMBL9492905

CC(C)C(O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPN P05981 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ GABBR2 O75899 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
SCHEMBL9168126 0.87 ALOX15 (0.50) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9701236 0.87 ALOX15 (0.44) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9621875 0.84 VCAM1 (0.43) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9701565 0.84 HPN (0.44) ALOX15MAPTHPNSIRT5CA2
SCHEMBL646924 0.81 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9621562 0.80 ALOX15 (0.46) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9494838 0.78 MAPT (0.47) ALOX15MAPTHPNSIRT5CA2
SCHEMBL8702044 0.78 ALOX15 (0.59) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9701573 0.78 HPN (0.44) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9550781 0.78 THRB (0.35) ALOX15ALDH1A1TSHRCYP1A2CYP3A4

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
US-5189038-A Administering phenolic thioethers G. D. SEARLE AND CO. (US) 1993-02-23 — — US claimed
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-5189038-A Administering phenolic thioethers G. D. SEARLE AND CO. (US) 1993-02-23 — — US disclosed
US-5082854-A Enzyme inhibitors G. D. SEARLE & CO. (US) 1992-01-21 — — 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
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