SCHEMBL30311220

SCHEMBL30311220

O=C(N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.59
▸ NAALAD2 Q9Y3Q0 7/20 0.51
▸ FTO Q9C0B1 2/20 0.44
▸ SLC17A5 Q9NRA2 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMAD3 P84022 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FOLH1 Q04609 2/20 0.42
▸ ITPR3 Q14573 1/20 0.41
▸ MDM2 Q00987 4/20 0.40

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
SCHEMBL12914887 0.94 ALB (0.62) ALBNAALAD2FTOSLC17A5MMP14
SCHEMBL12914888 0.90 ALB (0.56) ALBNAALAD2FTOSLC17A5MEN1
Fluorescein SCHEMBL30215702 0.90 ALB (0.49) ALBNAALAD2FTOSLC17A5MEN1
SCHEMBL12518418 0.81 KMT2A (0.49) KMT2AMDM2
SCHEMBL29401644 0.78 KMT2A (0.55) KMT2AMDM2
SCHEMBL14295942 0.78 ALB (0.64) ALBNAALAD2FTOMMP14MEN1
SCHEMBL12914871 0.77 ALB (0.67) ALBNAALAD2FTOMMP14MEN1
SCHEMBL10066800 0.77 ALB (0.58) ALBNAALAD2FTOMMP14MEN1
SCHEMBL15800275 0.77 ALB (0.56) ALBNAALAD2FTOMMP14MEN1
SCHEMBL4603627 0.76 TLR2 (0.39) ALBNAALAD2FTOSLC17A5MEN1

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
WO-2023058527-A1 METHOD FOR MEASURING NGLY1 ACTIVITY IN CELL LYSATE AND PROBE TO BE USED THEREFOR 国立研究開発法人理化学研究所 2023-04-13 — — WO disclosed
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