SCHEMBL11028487

SCHEMBL11028487

C=CC(=O)OCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL11024065 0.92 MAPT (0.46) TSHRMAPTTRPV1ALDH1A1KMT2A
SCHEMBL11028508 0.86 MAPT (0.61) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL11027208 0.86 TSHR (0.44) TSHRMAPTALDH1A1THRBHPGD
SCHEMBL19456746 0.84 THRB (0.56) TSHRMAPTALDH1A1KMT2ACYP2D6
SCHEMBL11025252 0.83 TSHR (0.51) TSHRMAPTALDH1A1THRB
SCHEMBL4688326 0.82 MAOB (0.53) TSHRMAPTTRPV1ALDH1A1KMT2A
SCHEMBL14774895 0.82 TSHR (0.51) TSHRMAPTTRPV1ALDH1A1KMT2A
SCHEMBL11023525 0.80 MAOB (0.49) TSHRMAPTTRPV1ALDH1A1KMT2A
SCHEMBL19738396 0.80 THRB (0.51) TSHRMAPTALDH1A1KMT2ACYP2D6
SCHEMBL11024373 0.80 THRB (0.42) TSHRALDH1A1THRB

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed