SCHEMBL1938779

SCHEMBL1938779

CCC(N)(N)C(=O)O.NCCOc1cc(OCCN)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.54
PLAU P00749 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4B P0C869 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2188463 0.84 PLA2G2A (0.61) PLA2G2APLAUKMT2AMEN1TP53
SCHEMBL14812371 0.80 PLA2G2A (0.57) PLA2G2APLAUKMT2AMEN1
SCHEMBL23352165 0.74 PLA2G2A (0.77) PLA2G2AKMT2AMEN1TP53TSHR
SCHEMBL10830829 0.73 PLA2G2A (0.86) PLA2G2AKMT2ATP53TSHRPLA2G4B
SCHEMBL14536663 0.73 L3MBTL1 (0.48) PLA2G2APLAUKMT2AMEN1CYP19A1
SCHEMBL23352169 0.72 PLA2G2A (0.96) PLA2G2AKMT2ATP53TSHRPLA2G4B
SCHEMBL17109507 0.71 PLA2G2A (0.71) PLA2G2AKMT2AMEN1TP53TSHR
SCHEMBL2958348 0.71 PLA2G2A (0.61) PLA2G2APLAUKMT2AMEN1TP53
SCHEMBL4368371 0.71 PARP10 (0.46) PLA2G2APLAUKMT2AMEN1TSHR
SCHEMBL2655120 0.70 PLA2G2A (0.65) PLA2G2AKMT2AMEN1TP53TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331561-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM Xenome Ltd (AU) 2011-06-15 EP disclosed
WO-2010025510-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2010-03-11 WO disclosed
WO-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO disclosed