SCHEMBL7632240

SCHEMBL7632240

NC1CCCC(C(=O)O)(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
EPHX2 P34913 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CASP3 P42574 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
OPRD1 P41143 1/20 0.33
F2 P00734 1/20 0.33
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7198199 1.00 KMT2A (0.41) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5352465 0.84 FABP5 (0.46) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31631380 0.84 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31631376 0.84 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL25288013 0.79 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14857871 0.79 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29811163 0.79 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14858208 0.79 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31631387 0.79 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL9073538 0.77 FABP5 (0.44) KMT2AFABP5FABP7EPHX2CA1

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
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP claimed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO claimed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP disclosed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO disclosed