SCHEMBL27933445

SCHEMBL27933445

C#CC1(c2ccc(OC)cc2)C=CC=CN1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL6018025 0.65
SCHEMBL23270162 0.64 OPRM1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL28198222 0.59 CA1 (0.55) CA12CA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL8489 0.59 CA1 (1.00) CA12CA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL21802643 0.59 CA1 (1.00) CA12CA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL27368038 0.57 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL187127 0.57 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4753435 0.57 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL895814 0.56 MAOB (0.52) CA12CA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL30704776 0.56 CA1 (0.92) CA12CA1CA2CA7CA9

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
CN-103254065-B 2,4,4',6-tetracarboxylic acid biphenyl silver complex and preparation method and application thereof UNIV LUOYANG NORMAL 2014-11-26 CN disclosed
CN-103254065-A 2,3,4',6-tetracarboxylic acid biphenyl silver complex and preparation method and application thereof UNIV LUOYANG NORMAL 2013-08-21 CN disclosed