SCHEMBL11028508

SCHEMBL11028508

C=CC(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
RAB9A P51151 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.46

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
SCHEMBL11028487 0.86 TSHR (0.48) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL10015973 0.85 MAPT (0.44) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL11024065 0.84 MAPT (0.46) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL13777633 0.84 MAPT (0.47) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL7203836 0.83 RAB9A (0.60) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL227301 0.83 HCAR2 (0.51) ALDH1A1LMNATSHR
SCHEMBL8571160 0.82 IDO1 (0.53) MAPTRAB9AALDH1A1MAOBPOLB
SCHEMBL11632216 0.82 RAB9A (0.62) MAPTRAB9ARXFP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11632213 0.81 RAB9A (0.61) MAPTRAB9ARXFP1KMT2AALDH1A1
SCHEMBL1493670 0.81 KMT2A (0.60) MAPTRAB9ARXFP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551057-B Chiral 3,3-disubstituted oxindole derivative and synthesis method and application thereof 华东师范大学 2023-02-07 CN disclosed
CN-110551057-A Chiral 3, 3-disubstituted oxindole derivative and synthesis method and application thereof UNIV EAST CHINA NORMAL 2019-12-10 CN disclosed
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