SCHEMBL7024898

SCHEMBL7024898

Oc1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.68
GSK3B P49841 2/20 0.61
BACE1 P56817 2/20 0.61
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
PPARA Q07869 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALKBH1 Q13686 1/20 0.46
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
LMNA P02545 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

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
SCHEMBL7024313 0.86 CACNA1C (0.53) MAOBGSK3BBACE1CYP1A2ALKBH1
SCHEMBL5514364 0.85 MAOB (0.62) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL4339666 0.84 MAOB (0.61) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL13450401 0.84 MAOB (0.60) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL2560816 0.83 MAOB (0.61) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL4886506 0.81 MAOB (0.58) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL5511238 0.81 MAOB (0.58) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL3457379 0.81 MAOB (0.58) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL2087082 0.81 MAOB (1.00) MAOBGSK3BBACE1PPARAPARP15
SCHEMBL3216377 0.81 MAOB (0.57) MAOBGSK3BBACE1IDO1AGXT

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