SCHEMBL16956342

SCHEMBL16956342

[CH2]C(C)c1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PDE2A O00408 2/20 0.31

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
SCHEMBL12049608 0.80 CES2 (0.44) CES2CES1PDE2A
SCHEMBL16953033 0.79 CES2 (0.43) CES2CES1
SCHEMBL13778130 0.76 PDE2A (0.47) CES2CES1PDE2A
SCHEMBL30682727 0.76 PDE2A (0.47) CES2CES1PDE2A
SCHEMBL17553266 0.76 CES2 (0.41) CES2CES1PDE2A
SCHEMBL24989671 0.76 CES2 (0.41) CES2CES1PDE2A
SCHEMBL4193634 0.76 CES2 (0.41) CES2CES1PDE2A
SCHEMBL7801426 0.76 PDE2A (0.47) CES2CES1PDE2A
SCHEMBL9985396 0.76 PDE2A (0.47) CES2CES1PDE2A
SCHEMBL1998634 0.76 CES2 (0.50) CES2CES1PDE2A

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed