SCHEMBL874041

SCHEMBL874041

N#CCC(=O)NCCCCc1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 1/20 0.38
FFAR1 O14842 1/20 0.38
EPOR P19235 4/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL874067 0.82 HRH3 (0.50) MAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL873884 0.80 ACACB (0.45) ALDH1A1CYP3A4
SCHEMBL873551 0.80 RECQL (0.41) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL873835 0.78 KMT2A (0.47) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL874538 0.78 MEN1 (0.47) MAPK1MEN1USP2ALDH1A1LMNA
SCHEMBL873597 0.76 POLB (0.47) KMT2A
SCHEMBL873481 0.75 HRH3 (0.51)
SCHEMBL873684 0.74 USP9X (0.49) MAPK1MEN1ALDH1A1LMNACYP3A4
SCHEMBL874265 0.73 TRPV1 (0.65) ALDH1A1LMNAKMT2ATSHR
SCHEMBL873719 0.73 POLB (0.50) MAPK1ALDH1A1KMT2ASMN1; 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
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