SCHEMBL28971850

SCHEMBL28971850

O=CNc1cccc(N(C(=O)O)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
GPR35 Q9HC97 1/20 0.35
LPAR1 Q92633 1/20 0.35

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
SCHEMBL5536053 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ALOX15MAPTMEN1
SCHEMBL1588981 0.77 ALDH1A1 (0.48) ALDH1A1NR3C1RXFP1
SCHEMBL12129057 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ALOX15MAPTMEN1
SCHEMBL171243 0.73 RAB9A (0.55) ALDH1A1MEN1NPC1PKMKMT2A
SCHEMBL11332567 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1NPC1
SCHEMBL11693722 0.71 TSHR (0.57) ALDH1A1CRHBPCRHR2ALOX15MAPT
SCHEMBL6903658 0.70 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ALOX15MAPTMEN1
SCHEMBL11130027 0.70 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1NR3C1
SCHEMBL21089210 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ALOX15MAPTMEN1
SCHEMBL5476580 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ALOX15MAPTMEN1

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-109476891-B Polymer composition, article made from the composition and method of forming the composition 美利肯公司 2022-07-05 CN disclosed