SCHEMBL9848855

SCHEMBL9848855

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.34
HMGCR P04035 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FASN P49327 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
IMPDH2 P12268 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TPMT P51580 2/20 0.31
EP300 Q09472 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MEN1 O00255 3/20 0.31

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
SCHEMBL9632145 0.79 KDM4E (0.36) KDM4EPOLBCYP3A4TDP1TPMT
SCHEMBL9196795 0.79 KDM4E (0.36) KDM4EPOLBCYP3A4TDP1IDO1
SCHEMBL5714292 0.72 CYP3A4 (0.39) KDM4EPOLBCYP3A4HMGCRFASN
Hydrochloric Acid SCHEMBL9192818 0.70 MAPT (0.46) KDM4ECYP3A4SMN1; SMN2TDP1IMPDH2
SCHEMBL5849544 0.67 CYP3A4 (0.37) CYP3A4HMGCRTDP1IMPDH2EP300
SCHEMBL17998046 0.66 CYP3A4 (0.39) KDM4EPOLBCYP3A4SMN1; SMN2TDP1
SCHEMBL19296354 0.66 HTT (0.50) FASNTDP1KMT2AMEN1MAPT
SCHEMBL11009627 0.65 HTT (0.48) KDM4EPOLBCYP3A4LMNAMAPK1
SCHEMBL19296353 0.65 HTT (0.49) FASNTDP1KMT2AMEN1MAPT
SCHEMBL6924953 0.65 CYP3A4 (0.38) KDM4EPOLBCYP3A4SMN1; SMN2TDP1

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
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