SCHEMBL2366948

SCHEMBL2366948

NCCC[C@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
EPOR P19235 2/20 0.38
FABP7 O15540 2/20 0.38
FABP5 Q01469 2/20 0.38
EPHX2 P34913 1/20 0.36
FOLH1 Q04609 1/20 0.36
PTPN1 P18031 2/20 0.36
TLR2 O60603 2/20 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
SCHEMBL28836337 0.97 KMT2A (0.42) KMT2AHDAC1HDAC2TPSAB1TPSD1
SCHEMBL5692815 0.97 KMT2A (0.42) KMT2AHDAC1HDAC2TPSAB1TPSD1
SCHEMBL29908075 0.97 KMT2A (0.42) KMT2AHDAC1HDAC2TPSAB1TPSD1
SCHEMBL31729494 0.97 KMT2A (0.42) KMT2AHDAC1HDAC2TPSAB1TPSD1
SCHEMBL5692740 0.97 KMT2A (0.42) KMT2AHDAC1HDAC2TPSAB1TPSD1
SCHEMBL22804087 0.94 KMT2A (0.45) KMT2AFABP7FABP5EPHX2TLR2
SCHEMBL569185 0.90 KMT2A (0.44) KMT2AEPORFABP7FABP5EPHX2
SCHEMBL29557381 0.90 KMT2A (0.44) KMT2AEPORFABP7FABP5EPHX2
SCHEMBL28516143 0.90 KMT2A (0.44) KMT2AEPORFABP7FABP5EPHX2
SCHEMBL17841800 0.88 KMT2A (0.43) KMT2AFABP7FABP5EPHX2TLR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
CN-101443664-A Mass tags for quantitative analyses APPLERA CORP (US) 2009-05-27 CN disclosed