SCHEMBL16956504

SCHEMBL16956504

C=[C]c1cc(OC(C)C)cc(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PDE2A O00408 2/20 0.33
▸ GPR3 P46089 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL16954164 0.86 GPR3 (0.35) FFAR4GPR3GRM5PGR
SCHEMBL16955222 0.81 ALDH1A1 (0.41) FFAR4GPR3GRM5PGR
SCHEMBL16962130 0.81 FFAR4 (0.39) FFAR4PDE2AGPR3PDK2
SCHEMBL16951818 0.81 ACACB (0.32) —
SCHEMBL16959641 0.80 ALDH1A1 (0.36) PDE2AGPR3GRM5
SCHEMBL16483004 0.79 FFAR4 (0.40) FFAR4PDE2AGPR3PDK2
SCHEMBL16950774 0.77 PGR (0.39) FFAR4GPR3PGR
SCHEMBL16957878 0.77 KAT6A (0.36) FFAR4
SCHEMBL17069259 0.77 FFAR4 (0.39) FFAR4PDE2APDK2
SCHEMBL17125230 0.77 FFAR4 (0.39) FFAR4PDE2AGPR3PDK2

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
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