SCHEMBL4600571

SCHEMBL4600571

Nc1ccc(CCC(=O)O)cc1.Nc1cccc(CCC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.68
FFAR1 O14842 10/20 0.64
MAOA P21397 4/20 0.59
MAOB P27338 4/20 0.59
KEAP1 Q14145 1/20 0.58
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
PTPRB P23467 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
PTEN P60484 1/20 0.51
PTPMT1 Q8WUK0 1/20 0.51
FFAR4 Q5NUL3 2/20 0.47

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
SCHEMBL360723 0.93 THRA (0.62) CYP19A1FFAR1MAOAMAOBKEAP1
Hydrochloric Acid SCHEMBL6774044 0.91 MAOA (0.63) CYP19A1FFAR1MAOAMAOBKEAP1
SCHEMBL73828 0.86 FFAR1 (0.65) FFAR1MAOAMAOBKEAP1FFAR4
SCHEMBL27544320 0.84 FFAR1 (0.63) FFAR1MAOAMAOBKEAP1FFAR4
Hydrochloric Acid SCHEMBL3128046 0.84 FFAR1 (0.63) FFAR1MAOAMAOBKEAP1FFAR4
SCHEMBL1162158 0.83 HDAC3 (0.63) CYP19A1FFAR1MAOAMAOBKEAP1
SCHEMBL12646502 0.82 FFAR1 (0.69) CYP19A1FFAR1MAOAKEAP1THRA
SCHEMBL27611502 0.81 MAPT (0.62) CYP19A1FFAR1MAOAMAOBTHRA
Hydrochloric Acid SCHEMBL8882353 0.81 HDAC3 (0.61) CYP19A1FFAR1MAOAMAOBTHRA
SCHEMBL8339608 0.80 FFAR1 (0.71) FFAR1MAOAMAOBKEAP1FFAR4

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
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed