SCHEMBL28826006

SCHEMBL28826006

Nc1ccc(N(C(=O)O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 8/20 0.46
TDP1 Q9NUW8 8/20 0.46
MAPT P10636 7/20 0.46
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 4/20 0.39
RECQL P46063 3/20 0.39
RAB9A P51151 2/20 0.39
PSMD14 O00487 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL28822336 0.85 MASP2 (0.40) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL26108874 0.78 CYP3A4 (0.48) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL4667393 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL13917755 0.77 CA2 (0.46) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL381901 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL28168615 0.76 TDP1 (0.48) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL891832 0.76 NPSR1 (0.55) ALDH1A1CYP3A4TDP1L3MBTL1CYP2C9
SCHEMBL11297057 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1MAPTKDM4E
Bicarbonate SCHEMBL11010145 0.74 MAPT (0.61) ALDH1A1CYP3A4TDP1MAPTKDM4E
Bicarbonate SCHEMBL10433540 0.74 MAPT (0.61) ALDH1A1CYP3A4TDP1MAPTKDM4E

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-114815028-A Polarizing plate and method for producing same 住友化学株式会社 2022-07-29 CN disclosed