SCHEMBL2646956

SCHEMBL2646956

COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
FABP5 Q01469 1/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 2/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL2664502 0.85 EPHX2 (0.52) EPHX2FABP5KMT2ACASP3ABL1
SCHEMBL569486 0.81 EPHX2 (0.60) EPHX2FABP5KMT2ASMN1; SMN2CASP3
SCHEMBL2650528 0.79 EPHX2 (0.51) EPHX2FABP5KMT2ASMN1; SMN2CASP3
SCHEMBL2744941 0.79 EPHX2 (0.62) EPHX2FABP5KMT2ACASP3
SCHEMBL9472298 0.79 ALDH1A1 (0.57) KMT2ASMN1; SMN2POLBMEN1
SCHEMBL2744944 0.78 EPHX2 (0.72) EPHX2FABP5KMT2ACASP3
SCHEMBL2649418 0.78 EPHX2 (0.50) EPHX2FABP5KMT2ASMN1; SMN2CASP3
SCHEMBL29972110 0.78 EPHX2 (0.53) EPHX2FABP5KMT2ASMN1; SMN2CASP3
SCHEMBL27081620 0.78 EPHX2 (0.53) EPHX2FABP5KMT2ASMN1; SMN2CASP3
SCHEMBL8366871 0.76 EPHX2 (0.64) EPHX2KMT2ASMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed