SCHEMBL13777552

SCHEMBL13777552

C=CC(=O)OCc1ccc(N(c2ccc(OCCCCOc3ccc(N(c4ccc(OC(=O)C=C)cc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNH2 Q12809 7/20 0.45
▸ LSS P48449 2/20 0.45
▸ MAOB P27338 1/20 0.44
▸ THRB P10828 2/20 0.41
▸ PLA2G4B P0C869 1/20 0.41

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
SCHEMBL28690239 0.83 MAOB (0.61) MAPTHTR2AMAOBPLA2G4B
SCHEMBL2602538 0.83 THRB (0.56) MAPTHTR2ATHRB
SCHEMBL13777562 0.82 MAPT (0.47) MAPTL3MBTL1THRB
SCHEMBL13777561 0.81 THRB (0.50) L3MBTL1THRB
SCHEMBL8571160 0.80 IDO1 (0.53) MAPTHTR2AMAOB
SCHEMBL13777614 0.80 MEN1 (0.43) MAPTL3MBTL1MAOBTHRBPLA2G4B
SCHEMBL13777580 0.80 THRB (0.50) THRBPLA2G4B
SCHEMBL14179076 0.79 THRB (0.63) THRB
SCHEMBL11987076 0.78 THRB (0.51) MAPTL3MBTL1THRB
SCHEMBL14179117 0.78 THRB (0.43) MAPTL3MBTL1THRB

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-7563553-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-07-21 — — US disclosed
US-20070178400-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-08-02 — — US disclosed
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