SCHEMBL7024313

SCHEMBL7024313

Oc1ccc(OCc2cc(F)ccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.53
MAOB P27338 6/20 0.51
GSK3B P49841 2/20 0.47
BACE1 P56817 2/20 0.47
ALKBH1 Q13686 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL7024898 0.86 MAOB (0.68) MAOBGSK3BBACE1ALKBH1ALDH1A1
SCHEMBL1283762 0.84 CACNA1C (0.59) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL2554194 0.83 CACNA1C (0.49) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL14762631 0.81 CACNA1C (0.50) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL2088042 0.81 MAOB (0.79) CACNA1CMAOBALKBH1ALDH1A1GAA
SCHEMBL1282619 0.81 CACNA1C (0.49) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL21340748 0.80 CACNA1C (0.52) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL17508221 0.80 ALDH1A1 (0.53) CACNA1CMAOBGSK3BBACE1ALKBH1
SCHEMBL811162 0.79 CACNA1C (0.51) CACNA1CMAOBALKBH1ALDH1A1LMNA
SCHEMBL3625841 0.78 MAOB (0.67) MAOBALDH1A1GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1127476-C 2-phenoxyaniline derivs. TAISHO PHARMACEUTICAL CO LTD (JP) 2003-11-12 CN disclosed
EP-1031556-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-22 EP disclosed
US-6162832-A 2-Phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., INC. (JP) 2000-12-19 US disclosed
CN-1276783-A 2-Phenoxyaniline Derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2000-12-13 CN disclosed
EP-1031556-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-08-30 EP disclosed