SCHEMBL172870

SCHEMBL172870

Bc1ccc(-c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ACP3 P15309 3/20 0.41
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL9306866 0.87 SLC6A2 (0.55) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL27509973 0.85 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL23527429 0.85 CHRNB2 (0.58) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL2838545 0.82 ALDH1A1 (0.56) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL29000147 0.79 LMNA (0.43) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL17209157 0.79 ALDH1A1 (0.60) SLC6A4ALDH1A1CYP3A4CA12CA1
SCHEMBL14067584 0.79 ALDH1A1 (0.60) SLC6A4ALDH1A1CYP3A4CA12CA1
Biphenyl SCHEMBL7785984 0.79 ALDH1A1 (0.60) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL320180 0.79 ALDH1A1 (0.60) SLC6A4ALDH1A1CYP3A4CA12CA1
SCHEMBL2956444 0.79 SLC6A2 (0.63) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed