SCHEMBL6130896

SCHEMBL6130896

CCCC(F)OC(=O)Nc1cccc(C(OP(=O)(O)C(N)(C(=O)OCc2ccccc2)C(C)C)C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
BACE1 P56817 3/20 0.36
MGLL Q99685 3/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL2352682 0.87 AURKA (0.43) PPARGBACE1MGLL
SCHEMBL2352657 0.71 PPARG (0.49) PPARGBACE1MGLL
SCHEMBL2352681 0.71 BACE1 (0.44) PPARGBACE1MGLL
SCHEMBL6130895 0.70 KDM4E (0.43) PPARG
SCHEMBL6130871 0.70 MMP3 (0.41) PPARG
SCHEMBL4710021 0.68 PRTN3 (0.44)
SCHEMBL27554195 0.67 PTPN1 (0.49)
SCHEMBL2352675 0.65 PPARG (0.49) PPARGBACE1MGLL
SCHEMBL2933823 0.65 PRTN3 (0.44) PPARG
SCHEMBL2353853 0.64 ELANE (0.51) PPARG

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-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed