SCHEMBL764439

SCHEMBL764439

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CCC(C)=O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 7/20 0.39
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
BDKRB1 P46663 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL764478 0.93 PPARA (0.41) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL765833 0.93 L3MBTL1 (0.40) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL765547 0.93 L3MBTL1 (0.40) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL765102 0.92 L3MBTL1 (0.39) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL764502 0.90 L3MBTL1 (0.38) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL764479 0.90 CNR1 (0.41) L3MBTL1PTPN7DUSP3EPHX2
SCHEMBL764477 0.90 L3MBTL1 (0.41) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL10121227 0.90 EPHX2 (0.44) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL12238932 0.90 L3MBTL1 (0.43) L3MBTL1PTPN7DUSP3POLBEPHX2
SCHEMBL10121546 0.89 L3MBTL1 (0.39) L3MBTL1PTPN7DUSP3POLBEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed