Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL9225860

CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.84

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.84
HIF1A Q16665 4/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
CYP2D6 P10635 2/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 8/20 0.58
CA2 P00918 2/20 0.58
POLB P06746 1/20 0.58
TYR P14679 1/20 0.58
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44

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
SCHEMBL8070387 0.97 HSPA5 (0.84) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL20596953 0.97 HSPA5 (0.78) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL7171512 0.97 HSPA5 (0.84) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1615304 0.94 CYP2C9 (0.81) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL30599778 0.92 HSPA5 (1.00) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL27533 0.92 HSPA5 (1.00) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9475586 0.90 HSPA5 (0.96) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
Butylated Hydroxytoluene SCHEMBL4397736 0.90 ALDH1A1 (0.72) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
Butylated Hydroxytoluene SCHEMBL9345634 0.88 ALDH1A1 (0.64) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL12626209 0.87 HSPA5 (0.84) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411929-A Thermally-processable image recording materials including substituted purine compounds POLAROID CORPORATION (US) 1995-05-02 US disclosed