SCHEMBL7533440

SCHEMBL7533440

CCCCCCCCNC(=O)NOCC(O)CN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
EPHX1 P07099 14/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 2/20 0.42
ABCB1 P08183 2/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3064740 1.00 KDM4E (0.48) KDM4EEPHX1ALDH1A1L3MBTL1EPHX2
SCHEMBL3071012 1.00 KDM4E (0.48) KDM4EEPHX1ALDH1A1L3MBTL1EPHX2
SCHEMBL7525000 0.99 KDM4E (0.46) KDM4EEPHX1ALDH1A1L3MBTL1EPHX2
SCHEMBL8608808 0.95 KDM4E (0.45) KDM4EEPHX1ALDH1A1L3MBTL1EPHX2
SCHEMBL3055428 0.90 ABCB1 (0.45) KDM4EALDH1A1L3MBTL1ABCB1
SCHEMBL27493475 0.84 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1ABCB1USP2
Fumaric Acid SCHEMBL7526322 0.82 EPHX2 (0.40) KDM4EALDH1A1EPHX2ABCB1USP2
Maleic Acid SCHEMBL7526315 0.82 EPHX2 (0.40) KDM4EALDH1A1EPHX2ABCB1USP2
Hydrochloric Acid SCHEMBL3077107 0.82 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1ABCB1USP2
SCHEMBL3064749 0.81 KDM4E (0.54) KDM4EEPHX1ALDH1A1EPHX2

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