SCHEMBL5813062

SCHEMBL5813062

O=C(O)C(Cc1cc(F)ccc1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.46
DPP7 Q9UHL4 5/20 0.46
DPP8 Q6V1X1 5/20 0.45
DPP9 Q86TI2 5/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL188143 0.84 USP2 (0.54) DPP4DPP7DPP8DPP9KMT2A
SCHEMBL188142 0.84 USP2 (0.54) DPP4DPP7DPP8DPP9KMT2A
SCHEMBL3973347 0.84 DPP4 (0.47) DPP4DPP7DPP8DPP9CES2
SCHEMBL29430355 0.84 USP2 (0.54) DPP4DPP7DPP8DPP9KMT2A
SCHEMBL23092065 0.80 DPP4 (0.46) DPP4DPP7DPP8DPP9RIPK1
SCHEMBL31498017 0.80 ITGB2 (0.44) DPP4DPP7DPP8DPP9RIPK1
SCHEMBL6692860 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9CES2
SCHEMBL26693779 0.78 PKM (0.46) KMT2A
SCHEMBL8231920 0.78 DPP4 (0.45) DPP4DPP7DPP8DPP9RIPK1
SCHEMBL29471363 0.76 TSHR (0.53) CES2CES1RIPK1

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-2006136327-A1 FUNGICIDAL BENZYLPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-12-28 WO disclosed