SCHEMBL11028486

SCHEMBL11028486

C=CC(=O)OC(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ACP3 P15309 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NLRP1 Q9C000 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 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
SCHEMBL11027189 0.86 CYP3A4 (0.38) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL11024046 0.83 KMT2A (0.43) MEN1KMT2AHPGDL3MBTL1ACP3
SCHEMBL11025251 0.83 KMT2A (0.47) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL10573663 0.82 TSHR (0.50) MEN1KMT2AHPGDL3MBTL1ACP3
SCHEMBL18037134 0.82 ALDH1A1 (0.50) MEN1KMT2AHPGDL3MBTL1ACP3
SCHEMBL11023520 0.81 ALDH1A1 (0.47) MEN1KMT2AHPGDL3MBTL1ACP3
SCHEMBL11455516 0.80 ALDH1A1 (0.47) MEN1KMT2AHPGDL3MBTL1ACP3
SCHEMBL11024371 0.80 CASP6 (0.40) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL342683 0.78 NPSR1 (0.48) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL29799953 0.78 NPSR1 (0.48) MEN1KMT2AHPGDL3MBTL1ALDH1A1

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
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