SCHEMBL27638414

SCHEMBL27638414

CCC(=O)c1ccc(O)c([N+](=O)[O-])c1.O=C(CO)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
COMT P21964 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GPR35 Q9HC97 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL21775014 0.84 ALDH1A1 (0.51) COMTALDH1A1MAPTKMT2AMAPK1
SCHEMBL27897186 0.83 MAPK1 (0.53) COMTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL1185712 0.78 MAPT (0.49) ALDH1A1MAPTGAAKMT2AMAPK1
SCHEMBL2203444 0.76 PARP1 (0.59) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL309017 0.76 PARP1 (0.59) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL27697310 0.75 HCAR3 (0.55) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11705097 0.73 GPR35 (0.51) COMTALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL5526148 0.73 GSK3B (0.57) COMTALDH1A1MAPTKMT2AMEN1
SCHEMBL16914851 0.70 MAPK1 (0.51) COMTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL7047805 0.70 TSHR (0.68) ALDH1A1MAPTGAAKMT2AMEN1

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
CN-1882602-A Modulation and degradation of hyaluronan synthesis in the treatment of disease MEDITECH RES LTD (AU) 2006-12-20 CN claimed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 CN disclosed