SCHEMBL7259183

SCHEMBL7259183

CCNC(=O)NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.58
PRMT1 Q99873 1/20 0.52
PLA2G2A P14555 1/20 0.46
ECE1 P42892 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
EPHX1 P07099 4/20 0.43
FFAR3 O14843 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NOS2 P35228 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL16938643 0.87 PRMT1 (0.64) EPHX2PRMT1PLA2G2AECE1ITGB3
SCHEMBL14980387 0.86 EPHX1 (0.56) EPHX2PRMT1PLA2G2AECE1ITGB3
SCHEMBL18724795 0.83 EPHX2 (0.81) EPHX2PRMT1PLA2G2AEPHX1
SCHEMBL15743121 0.83 EPHX2 (0.81) EPHX2PRMT1PLA2G2AEPHX1
SCHEMBL18724674 0.83 EPHX2 (0.81) EPHX2PRMT1PLA2G2AEPHX1
SCHEMBL23173031 0.82 EPHX1 (0.52) EPHX2PRMT1EPHX1NOS2
SCHEMBL4856595 0.79 NOS2 (0.44) EPHX2PRMT1ECE1EPHX1NOS2
SCHEMBL28293734 0.79 MMP1 (0.48) EPHX2EPHX1
SCHEMBL320068 0.79
SCHEMBL8361994 0.79 EPHX1 (0.76) EPHX2PRMT1PLA2G2AEPHX1

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
WO-2003066624-A1 PYRIMIDINONESULFAMOYLUREAS AS INTEGRIN LIGANDS ABBOTT GMBH & CO. KG (DE) 2003-08-14 WO disclosed