SCHEMBL9632145

SCHEMBL9632145

COc1c(C(=O)C(F)F)cc(O)c(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
TPMT P51580 4/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL9196795 0.79 KDM4E (0.36) KDM4EPOLBCYP3A4TDP1TPMT
SCHEMBL9848855 0.79 KDM4E (0.36) KDM4EPOLBCYP3A4TDP1TPMT
Hydrochloric Acid SCHEMBL9192818 0.70 MAPT (0.46) KDM4ECYP3A4TDP1GAAHTT
SCHEMBL5714292 0.69 CYP3A4 (0.39) KDM4EPOLBCYP3A4TDP1
SCHEMBL6924953 0.68 CYP3A4 (0.38) KDM4EPOLBCYP3A4TDP1GAA
SCHEMBL17998046 0.66 CYP3A4 (0.39) KDM4EPOLBCYP3A4TDP1GAA
SCHEMBL11009627 0.65 HTT (0.48) KDM4EPOLBCYP3A4TDP1TPMT
SCHEMBL9197174 0.65 GABRA1 (0.37) CYP3A4
SCHEMBL13064871 0.64 KDM4E (0.49) KDM4EPOLBCYP3A4TDP1TPMT
SCHEMBL9929474 0.64 GAA (0.41) KDM4EPOLBCYP3A4TPMTGAA

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-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
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