SCHEMBL5133822

SCHEMBL5133822

COC(=O)C1CN(C(=O)O)CCC1CCCOS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL705664 0.85 GPR119 (0.44)
SCHEMBL5133713 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL4438764 0.75 GPR119 (0.44) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL25288406 0.72 GPR119 (0.34) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2126084 0.72 GPR119 (0.34) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2126089 0.72 GPR119 (0.34) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL5133200 0.72 SLC6A2 (0.34) ALDH1A1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL14968794 0.71 SMN1; SMN2 (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL4283133 0.71 KDM4E (0.37) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL18669251 0.70 PDK1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9

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-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed