Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL9343307

Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[MgH3]

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.95
▸ ALDH1A1 P00352 5/20 0.95
▸ CA2 P00918 4/20 0.95
▸ POLB P06746 1/20 0.95
▸ TYR P14679 1/20 0.95
▸ HSPA5 P11021 1/20 0.65
▸ CA1 P00915 2/20 0.64
▸ CYP2C9 P11712 4/20 0.63
▸ CYP2C19 P33261 4/20 0.63
▸ HIF1A Q16665 3/20 0.63
▸ CYP2D6 P10635 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CYP1A2 P05177 3/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPN P05981 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.54
▸ GAA P10253 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54

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
Butylated Hydroxytoluene SCHEMBL3950 0.97 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.97 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL11857289 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL4170581 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL31217637 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL9343306 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL864242 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL11859223 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL20660368 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL7075597 0.95 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164503-A Reduction, hydrolysis GLAXO GROUP LIMITED (GB) 1992-11-17 — — US claimed
EP-0234737-B1 Preparation of piperidinylcyclopentylheptenoic acid derivatives GLAXO GROUP LTD (GB) 1994-07-27 — — EP disclosed
US-5164503-A Reduction, hydrolysis GLAXO GROUP LIMITED (GB) 1992-11-17 — — US disclosed
US-4977163-A Antiasthmatics; cardiovascular disorders GLAXO GROUP LIMITED (GB) 1990-12-11 — — US disclosed
US-4835278-A Preparation of piperidinylcyclopentylheptenoic acid derivatives GLAXO GROUP LIMITED (GB) 1989-05-30 — — US disclosed
EP-0234737-A1 Preparation of piperidinylcyclopentylheptenoic acid derivatives GLAXO GROUP LIMITED (GB) 1987-09-02 — — EP disclosed
EP-0069447-B1 AMINOCYCLOPENTANOL ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1986-10-29 — — EP disclosed
EP-0069447-A2 Aminocyclopentanol acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1983-01-12 — — EP disclosed
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