SCHEMBL9550808

SCHEMBL9550808

C[C@H](CCO)CSc1cc(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 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPN P05981 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ VCAM1 P19320 7/20 0.41
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GSR P00390 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ GABBR2 O75899 1/20 0.39
▸ TP53 P04637 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
SCHEMBL9681551 0.87 ALOX15 (0.50) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10685089 0.80 ALOX15 (0.53) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11603987 0.78 ALOX15 (0.55) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9621562 0.77 ALOX15 (0.46) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8834137 0.76 MAPT (0.57) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9701568 0.76 MAPT (0.45) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10817343 0.76 MAPT (0.61) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9328163 0.75 HPN (0.47) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9484852 0.74 ALOX15 (0.50) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9168126 0.74 ALOX15 (0.50) ALOX15MAPTHPNSIRT5VCAM1

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
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-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 — — US disclosed
EP-0218782-B1 LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-16 — — EP disclosed
EP-0218782-A1 Lipoxygenase-inhibiting composition and hydroxyphenylthioalkylcarbonyl compounds G.D. Searle & Co. (US) 1987-04-22 — — EP disclosed
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