SCHEMBL8550074

SCHEMBL8550074

C=C(CCNC(=O)NCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.48
KDM4C Q9H3R0 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRMT1 Q99873 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8549462 0.89 EPHX1 (0.55) EPHX1KDM4CEPHX2SMN1; SMN2PRMT1
SCHEMBL8549199 0.82 KEAP1 (0.37) EPHX1KMT2APRMT1
SCHEMBL636916 0.79 PAOX (0.41) KDM4CMMP1MMP2MMP3MMP9
SCHEMBL14980387 0.79 EPHX1 (0.56) EPHX1KDM4CEPHX2PRMT1
SCHEMBL22190114 0.78 EPHX1 (0.52) EPHX1MEN1KMT2AALDH1A1EPHX2
SCHEMBL319971 0.78 EPHX1 (0.71) EPHX1KDM4CMEN1KMT2AKDM4E
SCHEMBL4939278 0.77 ADRA1A (0.47) KDM4EALDH1A1
SCHEMBL5282303 0.75 MCL1 (0.45) EPHX1KDM4CMEN1KMT2AKDM4E
SCHEMBL9283293 0.74 ALOX15 (0.31) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1840501 0.73 TGFBR1 (0.37) KDM4EALDH1A1SMN1; 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 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