SCHEMBL8348474

SCHEMBL8348474

COc1ccc(NCCO)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.49
TNF P01375 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL6 P41182 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAK O14976 1/20 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
SCHEMBL11114332 0.89 KDM4E (0.58) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL5162466 0.86 POLB (0.44) KDM4EALDH1A1KMT2AGAAGLA
SCHEMBL12000685 0.86 ALDH1A1 (0.51) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL3859668 0.86 TUBB4A (0.57) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL29358077 0.84 GAA (0.47) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL12444463 0.84 L3MBTL1 (0.50) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL22537442 0.84 ALDH1A1 (0.43) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL36033 0.84 GAA (0.47) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL4534380 0.84 ALDH1A1 (0.47) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL3821707 0.83 MAPT (0.53) KDM4EMAPTALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed
CN-85103112-B Oxidation hair dye based on low viscosity carrier material 威娜股份有限公司 1988-09-28 CN disclosed
CN-85103112-A Oxide hair dye based on the low viscosity carrier material 1986-10-22 CN disclosed