SCHEMBL27724933

SCHEMBL27724933

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
HTR2A P28223 1/20 0.38
TLR2 O60603 2/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL27724932 1.00 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL30492079 1.00 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL27686247 0.96 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL30139101 0.96 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL17541295 0.96 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL28231577 0.95 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL31665919 0.95 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL1808220 0.92 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
Tetrahydrofuran SCHEMBL28805698 0.91 KMT2A (0.41) KMT2AFABP5FABP7CA1CA2
Tetrahydrofuran SCHEMBL27937986 0.91 KMT2A (0.41) 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
CN-101189253-A Antiinfective lipopeptides CUBIST PHARM INC (US) 2008-05-28 CN disclosed