Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL8487462

CCCC(c1cc(C(C)(C)C)c(O)cc1C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CA2 P00918 3/20 0.53
POLB P06746 1/20 0.53
TYR P14679 1/20 0.53
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
ALOX15 P16050 5/20 0.46
TP53 P04637 3/20 0.46
CYP2D6 P10635 2/20 0.46
HSPA5 P11021 2/20 0.45
HIF1A Q16665 4/20 0.44
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL29498346 0.91 ALOX15 (0.53) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL225503 0.91 ALOX15 (0.53) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL6420409 0.82 TP53 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL6159032 0.80 HSPA5 (0.51) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL9860202 0.79 CYP2C9 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL3909491 0.77 ALOX15 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL9862712 0.77 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL9395546 0.76 ALOX15 (0.47) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL11459105 0.76 ALOX15 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL15675992 0.76 ESR1 (0.48) ALDH1A1CYP2C9CYP2C19ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355650-A1 Low Microgel Surface Protection Film TREDEGAR FILM PRODUCTS CORPORATION 2016-12-08 US disclosed
US-5916926-A TREATING HIGH DENSITY POLYETHYLENE WITH A PEROXIDE AND WITH AN ANTIOXIDANT TO FORM UNFOAMED POLYETHYLENE, MIXING THE UNFOAMED POLYETHYLENE WITH A BLOWING AGENT TO FOAM THE POLYETHYLENE WHICH EXHIBITS DENSITY REDUCTION MOBIL OIL CORPORATION (US) 1999-06-29 US disclosed