SCHEMBL16319277

SCHEMBL16319277

COc1ccc(F)c(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
FFAR1 O14842 9/20 0.54
PTGER1 P34995 1/20 0.49
TOP1 P11387 1/20 0.48
MAOA P21397 1/20 0.47
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
PPARD Q03181 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL20252664 0.85 MAOB (0.57) MAOBFFAR1TOP1PPARDKDM4E
SCHEMBL27771711 0.84 MAOB (0.58) MAOBABCB1HTR1ADRD2KDM4E
SCHEMBL15365 0.82 MAOB (0.58) MAOBFFAR1MAPT
SCHEMBL31166954 0.80 ALOX5 (0.58) MAOBTOP1MAOAMAPT
SCHEMBL2501392 0.80 FFAR1 (0.75) FFAR1
SCHEMBL2496055 0.80 FFAR1 (0.75) FFAR1
SCHEMBL27882779 0.79 MAOB (0.58) MAOBFFAR1ABCB1HTR1ADRD2
SCHEMBL20244889 0.78 MAPT (0.53) MAOBKDM4EMAPT
SCHEMBL23520334 0.77 MAPT (0.49) MAOBKDM4EMAPT
SCHEMBL18044481 0.76 MAOB (0.58) MAOBFFAR1PPARDMAPT

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-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed