SCHEMBL16950375

SCHEMBL16950375

[CH2]C(CO)c1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.41
▸ FFAR1 O14842 3/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ GPR3 P46089 3/20 0.38
▸ TRPV3 Q8NET8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPM1A P35813 1/20 0.34

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
SCHEMBL16953128 0.84 GPR3 (0.37) FFAR4FFAR1PDE2AGPR3KDM4E
SCHEMBL16962092 0.83 GPR3 (0.36) FFAR4FFAR1PDE2AGPR3KDM4E
SCHEMBL16956236 0.81 ADRA1A (0.41) KMT2A
SCHEMBL16959309 0.81 PDE2A (0.37) FFAR4FFAR1PDE2AGPR3KDM4E
SCHEMBL16961017 0.79 FFAR4 (0.43) FFAR4FFAR1KDM4EKMT2A
SCHEMBL16959893 0.79 PDE2A (0.49) FFAR4FFAR1PDE2AGPR3
SCHEMBL16961457 0.78 KDM4E (0.33) GPR3KDM4EGAAKMT2A
SCHEMBL16957151 0.78 PDE2A (0.41) FFAR4FFAR1PDE2AGPR3GAA
SCHEMBL16955349 0.78 CETP (0.43) —
SCHEMBL16960041 0.77 KMT2A (0.38) KDM4EGAAKMT2A

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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