SCHEMBL874538

SCHEMBL874538

NCCCCc1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
FFAR1 O14842 2/20 0.46
EPOR P19235 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL874041 0.78 MAPK1 (0.39) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL16344478 0.77 MEN1 (0.45) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL2325119 0.76 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL2332173 0.76 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL910747 0.76 KCNH2 (0.58) ITGB3ITGA2BFFAR1S1PR1S1PR3
SCHEMBL17919109 0.76 KMT2A (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL16383768 0.76 ALDH1A1 (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL16383914 0.76 KMT2A (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11932186 0.74 KCNH2 (0.46) ITGB3ITGA2BFFAR1
SCHEMBL16853286 0.74 LTA4H (0.56) MEN1USP2ALDH1A1LMNACYP3A4

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
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed