SCHEMBL28804346

SCHEMBL28804346

C=C(NC(=O)Nc1cccc(O)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
PYGL P06737 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
BAZ1A Q9NRL2 1/20 0.50
GRIK1 P39086 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
EPHX2 P34913 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
CNR1 P21554 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
MGLL Q99685 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5705891 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2PYGLKMT2AMEN1
SCHEMBL9400341 0.80 ALDH1A1 (0.70) ALDH1A1CYP1A2PYGLKMT2AMEN1
SCHEMBL28804176 0.80 MAOA (0.58) ALDH1A1KMT2AMEN1GRIK1EPHX2
SCHEMBL7098404 0.79 TP53 (0.68) ALDH1A1CYP1A2KMT2AMEN1BAZ1A
SCHEMBL5705807 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2PYGLKMT2AMEN1
SCHEMBL29211022 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2KMT2AMEN1MMP1
SCHEMBL7097715 0.78 MARS1 (0.51) ALDH1A1CYP1A2KMT2AMEN1BAZ1A
SCHEMBL7098401 0.76 MARS1 (0.55) ALDH1A1CYP1A2KMT2AMEN1EPHX2
SCHEMBL28804283 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2PYGLKMT2AMEN1
SCHEMBL595025 0.75 ALDH1A1 (0.68) ALDH1A1CYP1A2KMT2AMEN1BAZ1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109791361-B Positive lithographic printing plate precursor, method for producing same, and method for producing lithographic printing plate 富士胶片株式会社 2022-06-03 CN disclosed