SCHEMBL14829281

SCHEMBL14829281

CCOC(=O)c1cc(-c2cc(F)cc(C(F)(F)F)c2)[nH]c(=O)c1COC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL14829280 0.71 ALDH1A1 (0.38) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL14846543 0.68 MAPT (0.38) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL4829568 0.67 CA12 (0.50) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL29158848 0.66 GCGR (0.65) KDM4EL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL30741073 0.66 PDE3B (0.56) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL8165963 0.65 PTGDR2 (0.41) KDM4EALDH1A1HPGDRXRARXRB
SCHEMBL31747940 0.65 RXRA (0.38) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL1156279 0.63 KMT2A (0.67) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL25292403 0.63 ALDH1A1 (0.42) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL31048564 0.63 ALDH1A1 (0.42) KDM4EL3MBTL1ALDH1A1GAAHPGD

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-2760839-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013049104-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed