SCHEMBL8544799

SCHEMBL8544799

C=C(CCCNC(=O)NC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PRMT1 Q99873 1/20 0.39
EPHX1 P07099 5/20 0.36
EPHX2 P34913 7/20 0.36
ADRA1A P35348 1/20 0.33

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
SCHEMBL8549199 0.88 KEAP1 (0.37) KEAP1NFE2L2PRMT1EPHX1
SCHEMBL8549462 0.83 EPHX1 (0.55) PRMT1EPHX1EPHX2
SCHEMBL378843 0.80 KDM4E (0.54) ADRA1A
SCHEMBL1011841 0.79 ALOX15 (0.35) PRMT1EPHX2ADRA1A
SCHEMBL337280 0.79 KDM4A (0.38) EPHX1
SCHEMBL5125268 0.79 PRMT1 (0.61) KEAP1NFE2L2PRMT1EPHX2ADRA1A
SCHEMBL16353969 0.78 PRMT1 (0.50) PRMT1EPHX1EPHX2
SCHEMBL8995176 0.78 PRMT1 (0.71) PRMT1EPHX1EPHX2ADRA1A
Hydrochloric Acid SCHEMBL8005993 0.78 KDM4A (0.41) EPHX1
SCHEMBL1880850 0.77 PLA2G4A (0.39) PRMT1EPHX2ADRA1A

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 2 patents. 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
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed