SCHEMBL7526319

SCHEMBL7526319

CCCCCCNC(=O)NOCC(CN1CCOCC1)OC(=O)/C=C\C(=O)OC(CONC(=O)NCCCCCC)CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.41
EPHX2 P34913 3/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
UGCG Q16739 1/20 0.35
MTOR P42345 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 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
Fumaric Acid SCHEMBL7526322 0.82 EPHX2 (0.40) TLR2EPHX2HTTALDH1A1MEN1
Maleic Acid SCHEMBL7526315 0.82 EPHX2 (0.40) TLR2EPHX2HTTALDH1A1MEN1
SCHEMBL18751407 0.73 MEN1 (0.37) EPHX2ALDH1A1MEN1KMT2ATP53
SCHEMBL17948069 0.72 KMT2A (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL17955772 0.72 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL17955787 0.72 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL17955616 0.72 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3071012 0.71 KDM4E (0.48) EPHX2ALDH1A1EPHX1
SCHEMBL7533440 0.71 KDM4E (0.48) EPHX2ALDH1A1EPHX1
SCHEMBL3064740 0.71 KDM4E (0.48) EPHX2ALDH1A1EPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832079-B1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-03-27 EP disclosed
US-6002002-A Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions BIOREX RESEARCH & DEVELOPMENT CO. (HU) 1999-12-14 US disclosed
EP-0832079-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1998-04-01 EP disclosed
WO-1997000251-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1997-01-03 WO disclosed