SCHEMBL28877427

SCHEMBL28877427

O=C(O)CN(C(=O)c1cc(O)c(C(=O)O)cc1O)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 2/20 0.40
KLKB1 P03952 1/20 0.39
CTSB P07858 1/20 0.39
MMP9 P14780 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3B Q9UBC3 1/20 0.39
DNMT3L Q9UJW3 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PTGS2 P35354 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 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
SCHEMBL28877524 0.86 KDM4E (0.40) MEN1KMT2AL3MBTL1SMN1; SMN2RECQL
SCHEMBL28877433 0.85 PTGS2 (0.39) LCKMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6905494 0.80 KDM4E (0.43) LCKMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL30031224 0.77 ALOX15 (0.49) LCKMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL28877456 0.77 ALOX15 (0.49) LCKMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL28877475 0.76 POLB (0.38) LCKMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL28810732 0.71 MEN1 (0.60) LCKMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10594630 0.68 AKR1B10 (0.47) KMT2AL3MBTL1CA12CA7CA9
SCHEMBL23796885 0.68 LCK (0.54) LCKRECQLKLKB1CTSBMMP9
SCHEMBL12275098 0.67 ESR1 (0.41) KDM4EHSD17B10LMNA

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-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN claimed
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN disclosed