SCHEMBL28804283

SCHEMBL28804283

C=C(NC(=O)Nc1ccc(C)c(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
PYGL P06737 2/20 0.39
POLB P06746 3/20 0.39
CA2 P00918 1/20 0.39
KCNJ6 P48051 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
SCHEMBL5705696 0.85 ALDH1A1 (0.48) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL5705920 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7099121 0.79 ALDH1A1 (0.51) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28946861 0.79 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2853227 0.78 ALDH1A1 (0.64) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7093860 0.78 KMT2A (0.61) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7096720 0.77 ALDH1A1 (0.50) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7093312 0.77 ALDH1A1 (0.58) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28804176 0.77 MAOA (0.58) ALDH1A1KMT2AMEN1CYP3A4GAA
SCHEMBL7098367 0.76 EPHX2 (0.50) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9

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