SCHEMBL13777580

SCHEMBL13777580

C=CC(=O)COc1ccc(N(c2ccc(OCCCCCc3ccc(CCCCCOc4ccc(N(c5ccc(COC(=O)C=C)cc5)c5ccc(OC(=O)C=C)cc5)cc4)cc3)cc2)c2ccc(OC(=O)C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.50
▸ PLA2G4B P0C869 4/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ THRA P10827 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34

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
SCHEMBL14179076 0.88 THRB (0.63) THRBTHRAMEN1ALDH1A1CYP3A4
SCHEMBL15854397 0.84 THRB (0.38) THRBFFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL13777561 0.84 THRB (0.50) THRBFFAR1ALDH1A1LMNACYP3A4
SCHEMBL2602538 0.81 THRB (0.56) THRBTHRAMEN1ALDH1A1LMNA
SCHEMBL14179080 0.81 THRB (0.40) THRBFFAR1MEN1ALDH1A1MAPK1
SCHEMBL13777614 0.81 MEN1 (0.43) THRBPLA2G4BMEN1ALDH1A1CYP3A4
SCHEMBL13777562 0.81 MAPT (0.47) THRBMEN1ALDH1A1LMNAKMT2A
SCHEMBL13777566 0.80 THRB (0.40) THRBMEN1ALDH1A1LMNAMAPK1
SCHEMBL13777552 0.80 MAPT (0.46) THRBPLA2G4B
SCHEMBL14436738 0.77 THRB (0.40) THRBPLA2G4BALDH1A1CYP3A4

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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