SCHEMBL8549199

SCHEMBL8549199

C=C(CCNC(=O)NC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
PRMT1 Q99873 1/20 0.33
MTNR1A P48039 1/20 0.33
TET2 Q6N021 4/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
EPHX1 P07099 2/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
SCHEMBL8544799 0.88 KEAP1 (0.42) KEAP1NFE2L2PRMT1EPHX1
SCHEMBL8550074 0.82 EPHX1 (0.48) KMT2APRMT1EPHX1
SCHEMBL4939278 0.78 ADRA1A (0.47) HSD17B10ALOX15MTNR1ATET2
SCHEMBL12037322 0.78 PRMT1 (0.48) KEAP1NFE2L2PRMT1ITGB3ITGAV
SCHEMBL336883 0.78
Hydrochloric Acid SCHEMBL8380450 0.76 ALOX15 (0.37) HSD17B10ALOX15TET2TET3TET1
SCHEMBL9473136 0.75 KEAP1 (0.37) KEAP1NFE2L2KMT2AHSD17B10MTNR1A
SCHEMBL1840501 0.75 TGFBR1 (0.37) HSD17B10ALOX15TET2TET3TET1
SCHEMBL13853553 0.75 LMNA (0.48) KEAP1NFE2L2KMT2AHSD17B10PRMT1
Chloromethane SCHEMBL4638029 0.74 TET2 (0.39) HSD17B10ALOX15TET2TET3TET1

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