SCHEMBL8549463

SCHEMBL8549463

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.46
KDM4C Q9H3R0 1/20 0.42
EPHX2 P34913 6/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8549460 1.00 EPHX1 (0.46) EPHX1KDM4CEPHX2MEN1KMT2A
SCHEMBL25383963 0.86 EPHX1 (0.61) EPHX1EPHX2ALDH1A1
SCHEMBL9007588 0.84 EPHX1 (0.55) EPHX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9007572 0.84 EPHX1 (0.55) EPHX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8544801 0.83 KEAP1 (0.35) EPHX2KMT2A
SCHEMBL8544798 0.83 KEAP1 (0.35) EPHX2KMT2A
SCHEMBL637549 0.81 PAOX (0.42)
SCHEMBL637548 0.81 PAOX (0.42)
SCHEMBL5025472 0.80 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL5708567 0.80 CD81 (0.37) KDM4E

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