SCHEMBL11548871

SCHEMBL11548871

C(=C/c1ccc(-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)cc2)cc1)\c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.62
NFE2L2 Q16236 2/20 0.62
CYP19A1 P11511 2/20 0.62
MAOA P21397 2/20 0.62
CA1 P00915 1/20 0.56
MGLL Q99685 1/20 0.56
RELA Q04206 3/20 0.54
TRPA1 O75762 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CHAT P28329 2/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC1 Q13547 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL83379 1.00 MAOB (0.62) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL11548873 1.00 MAOB (0.62) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL83380 1.00 MAOB (0.62) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL31577619 0.97 MAOB (0.59) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL4004892 0.97 CA1 (0.60) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL3124723 0.97 MAOB (0.59) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL11548255 0.97 CA1 (0.60) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL11548251 0.97 CA1 (0.60) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL3124728 0.97 MAOB (0.59) MAOBNFE2L2CYP19A1MAOACA1
SCHEMBL4004894 0.97 CA1 (0.60) MAOBNFE2L2CYP19A1MAOACA1

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-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 US disclosed