SCHEMBL7389338

SCHEMBL7389338

CC(N)C(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 2/20 0.44
EPHX2 P34913 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7391410 1.00 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL7393490 1.00 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL7119225 0.89 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL9116494 0.89 FABP5 (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL28215432 0.87 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL7128599 0.86 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL17753728 0.85 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL7037298 0.85 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL28888234 0.85 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL7394724 0.85 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2

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-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed