SCHEMBL951258

SCHEMBL951258

CCCCCc1c[nH]nc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.40
NOD2 Q9HC29 1/20 0.40
LMNA P02545 1/20 0.38
PDE4D Q08499 1/20 0.38
PLA2G4A P47712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL824999 0.89 KDM4E (0.44) KDM4EPOLBLMNAPDE4DL3MBTL1
SCHEMBL946588 0.84 KDM4E (0.47) KDM4EPOLBPDE4DL3MBTL1ALDH1A1
SCHEMBL8584565 0.83 HCAR2 (0.40) HCAR3HCAR2ALDH1A1PPARGPPARA
SCHEMBL948543 0.83 HCAR2 (0.46) HCAR3HCAR2PPARGPPARA
SCHEMBL11365602 0.81 HCAR2 (0.48) HCAR3HCAR2PPARGPPARA
SCHEMBL7703559 0.81 KDM4E (0.49) KDM4EPOLBPDE4DL3MBTL1ALDH1A1
SCHEMBL13651216 0.80 KDM4E (0.48) KDM4EPOLBLMNAPDE4DL3MBTL1
SCHEMBL951011 0.78 KDM4E (0.43) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL4878445 0.78 HCAR2 (0.47) KDM4ELMNAL3MBTL1HCAR3HCAR2
SCHEMBL27321987 0.77 KDM4E (0.42) KDM4EPOLBPDE4DL3MBTL1ALDH1A1

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-2451450-B1 Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections PASTEUR INSTITUT (FR) 2014-07-02 EP disclosed
EP-2451450-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES Institut Pasteur (FR) 2012-05-16 EP disclosed
WO-2011004323-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES INSTITUT PASTEUR (FR) 2011-01-13 WO disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 EP disclosed