SCHEMBL8544801

SCHEMBL8544801

CNC(=O)NCCC=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CD81 P60033 2/20 0.34
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.32
MTNR1A P48039 1/20 0.32
CYP2C9 P11712 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
EPHX2 P34913 1/20 0.30
TBXAS1 P24557 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8544798 1.00 KEAP1 (0.35) KEAP1NFE2L2CD81PPARGKMT2A
SCHEMBL8549463 0.83 EPHX1 (0.46) KMT2AEPHX2
SCHEMBL8549460 0.83 EPHX1 (0.46) KMT2AEPHX2
SCHEMBL5708567 0.82 CD81 (0.37) CD81PPARGBACE1CYP2C9FNTA
SCHEMBL5025472 0.82 KDM4E (0.44) CD81PPARGMTNR1ACYP2C9
SCHEMBL337281 0.79 CD81 (0.38) CD81PPARGBACE1CYP2C9TBXAS1
SCHEMBL637565 0.79 CD81 (0.38) CD81PPARGBACE1CYP2C9TBXAS1
SCHEMBL472249 0.78 CD81 (0.35) CD81PPARGBACE1CYP2C9FNTA
SCHEMBL875497 0.78 CD81 (0.35) CD81PPARGBACE1CYP2C9FNTA
Hydrochloric Acid SCHEMBL9844191 0.78 CD81 (0.37) CD81PPARGBACE1CYP2C9

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