SCHEMBL14980387

SCHEMBL14980387

CCCNC(=O)NCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.56
PRMT1 Q99873 1/20 0.52
EPHX2 P34913 8/20 0.50
PLA2G2A P14555 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
FFAR3 O14843 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
S1PR1 P21453 1/20 0.45
ECE1 P42892 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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) PRMT1EPHX2PLA2G2AECE1ITGB3
SCHEMBL7259183 0.86 EPHX2 (0.58) EPHX1PRMT1EPHX2PLA2G2AFFAR3
SCHEMBL319971 0.84 EPHX1 (0.71) EPHX1EPHX2KDM4C
SCHEMBL8361994 0.83 EPHX1 (0.76) EPHX1PRMT1EPHX2PLA2G2A
SCHEMBL7893565 0.83 EPHX1 (0.76) EPHX1PRMT1EPHX2PLA2G2A
SCHEMBL1867565 0.80 EPHX1 (0.50) EPHX1PRMT1EPHX2KDM4C
SCHEMBL5779247 0.79 EPHX1 (0.65) EPHX1EPHX2KDM4C
Dimethylamine SCHEMBL10414531 0.79 EPHX1 (0.65) EPHX1EPHX2KDM4C
SCHEMBL8550074 0.79 EPHX1 (0.48) EPHX1PRMT1EPHX2KDM4C
SCHEMBL30560144 0.79 FAAH (0.66) EPHX2PLA2G2A

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-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed