SCHEMBL14898524

SCHEMBL14898524

Cc1ccc(NNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
EPHX2 P34913 1/20 0.55
GAA P10253 2/20 0.51
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 1/20 0.44
MDM2 Q00987 1/20 0.44
CASP3 P42574 1/20 0.44
FABP5 Q01469 2/20 0.42
FABP7 O15540 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 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
SCHEMBL12235815 0.89 KMT2A (0.64) KMT2AEPHX2GAACASP3FABP5
SCHEMBL22635803 0.87 KMT2A (0.56) KMT2AEPHX2GAAHTTSMN1; SMN2
SCHEMBL8366871 0.86 EPHX2 (0.64) KMT2AEPHX2SMN1; SMN2MDM2CASP3
SCHEMBL178731 0.86 KMT2A (0.57) KMT2AEPHX2GAACASP3FABP5
SCHEMBL114404 0.85 KMT2A (0.60) KMT2AEPHX2GAACASP3FABP5
SCHEMBL13613350 0.80 KMT2A (0.72) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL3757636 0.80 KMT2A (0.72) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL402111 0.80 KMT2A (0.68) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL29839653 0.80 KMT2A (0.53) KMT2AEPHX2MDM2CASP3MEN1
SCHEMBL16130867 0.79 KMT2A (0.52) KMT2AEPHX2MDM2CASP3LMNA

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
US-8431688-B2 Synthetic peptide constructs for the diagnosis and treatment of Periodontitis associated with Porphyromonas gingivalis THE UNIVERSITY OF MELBOURNE (AU) 2013-04-30 US disclosed