SCHEMBL6746183

SCHEMBL6746183

O=C(NC(C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CASP3 P42574 2/20 0.56
MDM4 O15151 2/20 0.56
TP53 P04637 2/20 0.56
EPHX2 P34913 1/20 0.53
MDM2 Q00987 4/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49

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
SCHEMBL21603012 0.90 CASP3 (0.53) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL118016 0.88 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL30208674 0.88 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL8892308 0.88 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL14098623 0.87 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL13784428 0.87 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL24628028 0.86 MDM4 (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL8895610 0.86 MDM4 (0.62) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL119043 0.86 CASP3 (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL178736 0.86 CASP3 (0.57) KMT2ACASP3MDM4TP53EPHX2

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
US-20040086949-A1 Method for preparing a ligand presenting assembly (LPA), an LPA and uses thereof STATENS SERUM INSTITUT 2004-05-06 US disclosed
EP-1117677-B1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUMINSTITUT (DK) 2003-11-12 EP disclosed