SCHEMBL2790343

SCHEMBL2790343

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.41
P2RX7 Q99572 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 2/20 0.38
DUSP3 P51452 2/20 0.38
CCR2 P41597 1/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PPARG P37231 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
SCHEMBL2786014 0.91 P2RX7 (0.41) EPHX2P2RX7L3MBTL1PTPN7DUSP3
SCHEMBL2787692 0.90 P2RX7 (0.42) EPHX2P2RX7L3MBTL1PTPN7DUSP3
SCHEMBL13165755 0.87 BDKRB1 (0.44) EPHX2P2RX7POLBPDE4APDE4B
SCHEMBL2809672 0.87 P2RX7 (0.37) EPHX2P2RX7L3MBTL1PTPN7DUSP3
SCHEMBL2787720 0.86 EPHX2 (0.41) EPHX2L3MBTL1PTPN7DUSP3POLB
SCHEMBL2788026 0.85 L3MBTL1 (0.42) EPHX2P2RX7L3MBTL1PTPN7DUSP3
SCHEMBL2785904 0.85 EPHX2 (0.40) EPHX2P2RX7L3MBTL1PTPN7DUSP3
Trifluoroacetic Acid SCHEMBL2788167 0.84 EPHX2 (0.41) EPHX2P2RX7L3MBTL1CCR2PPARG
SCHEMBL765638 0.82 EPHX2 (0.48) EPHX2P2RX7L3MBTL1PTPN7DUSP3
SCHEMBL2787971 0.82 CCR5 (0.38) EPHX2P2RX7L3MBTL1PTPN7DUSP3

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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed