SCHEMBL16953128

SCHEMBL16953128

[CH2]C(CO)c1cc(OC(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ CETP P11597 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KIF11 P52732 1/20 0.33

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
SCHEMBL16951360 0.84 PDE2A (0.35) GPR3PDE2AFFAR4SLC6A2SLC6A4
SCHEMBL16950375 0.84 FFAR4 (0.41) GPR3KDM4EGAAKMT2APDE2A
SCHEMBL16957191 0.83 ALPL (0.33) KMT2APDE2AFFAR4SLC6A4
SCHEMBL16962092 0.83 GPR3 (0.36) GPR3KDM4EGAAKMT2APDE2A
SCHEMBL16960512 0.83 USP28 (0.35) PDE2ASLC6A4
SCHEMBL16959309 0.81 PDE2A (0.37) GPR3KDM4EGAAKMT2APDE2A
SCHEMBL16958881 0.79 PDE2A (0.42) GPR3GAAPDE2ASLC6A2SLC6A4
SCHEMBL30903831 0.78 GPR3 (0.42) GPR3KDM4EGAAPDE2ACETP
SCHEMBL16955166 0.78 GPR3 (0.39) GPR3KDM4EGAAPDE2ASLC6A2
SCHEMBL16955349 0.78 CETP (0.43) CETPSLC6A2

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
Send feedback