SCHEMBL6239792

SCHEMBL6239792

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX2 P34913 1/20 0.43
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.39
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8453691 0.84 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL28375820 0.83 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL31185984 0.83 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL30600447 0.83 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL26932742 0.82 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL17753728 0.79 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL28758363 0.79 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL7037298 0.79 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL19878656 0.78 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL7128599 0.78 KMT2A (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543019-A2 MODIFIED PNA MOLECULES Santaris Pharma A/S (DK) 2005-06-22 EP disclosed
WO-2004024757-A2 MODIFIED PNA MOLECULES SANTARIS PHARMA A/S (DK) 2004-03-25 WO disclosed