SCHEMBL873551

SCHEMBL873551

CCOP(=O)(CC(=O)NCCCCc1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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 0.80 MAPK1 (0.39) RECQLTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL864133 0.76 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL874538 0.74 MEN1 (0.47) KMT2AALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL9439602 0.69 SMN1; SMN2 (0.52) KMT2AALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL874038 0.69 NAMPT (0.39) KMT2AALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL2419529 0.68 NPC1 (0.53) KMT2AALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL17809069 0.68 KMT2A (0.56) RECQLTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL17809067 0.68 KMT2A (0.56) RECQLTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL17809066 0.68 KMT2A (0.56) RECQLTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL2332283 0.66 L3MBTL1 (0.60) KMT2ASMN1; SMN2MEN1LMNAKDM4E

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