SCHEMBL9631376

SCHEMBL9631376

COc1cc(C(C)(C)C)c(O)cc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.69
ALOX15 P16050 4/20 0.69
LMNA P02545 3/20 0.69
TP53 P04637 2/20 0.69
HPGD P15428 1/20 0.69
ALDH1A1 P00352 10/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
PKM P14618 2/20 0.46
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR2A P28223 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL2789595 0.84 ALOX15 (0.80) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL29381356 0.82 ALOX15 (1.00) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL39215 0.82 ALOX15 (1.00) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL2741238 0.78 ALOX15 (0.71) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL5082769 0.78 ALOX15 (0.84) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL29950205 0.77 PKM (0.53) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL396873 0.77 ALDH1A1 (0.64) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL1599771 0.77 GAA (0.56) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL29550866 0.77 ALDH1A1 (0.64) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL1871068 0.77 PKM (0.53) CYP3A4ALOX15LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517533-A2 HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS Samsung Display Co., Ltd. (KR) 2019-07-31 EP disclosed
US-5104414-A 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORPORATION (JP) 1992-04-14 US disclosed
US-5015260-A Hair dyes for reaction with developer KAO CORPORATION (JP) 1991-05-14 US disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed