SCHEMBL8549462

SCHEMBL8549462

C=C(CCCNC(=O)NCCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.55
KDM4C Q9H3R0 1/20 0.46
EPHX2 P34913 8/20 0.42
PRMT1 Q99873 1/20 0.42
PLA2G4A P47712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8550074 0.89 EPHX1 (0.48) EPHX1KDM4CEPHX2PRMT1SMN1; SMN2
SCHEMBL9007574 0.84 EPHX1 (0.62) EPHX1EPHX2SMN1; SMN2
SCHEMBL8544799 0.83 KEAP1 (0.42) EPHX1EPHX2PRMT1
SCHEMBL9747979 0.82 KMT2A (0.43) EPHX1EPHX2PRMT1
SCHEMBL636292 0.81 PAOX (0.47) PLA2G4A
SCHEMBL16353969 0.80 PRMT1 (0.50) EPHX1EPHX2PRMT1
SCHEMBL8995176 0.80 PRMT1 (0.71) EPHX1EPHX2PRMT1PLA2G4A
SCHEMBL378843 0.79 KDM4E (0.54)
SCHEMBL1011841 0.78 ALOX15 (0.35) EPHX2PRMT1PLA2G4A
SCHEMBL246135 0.77 ALOX15 (0.45) EPHX1SMN1; SMN2

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-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed