SCHEMBL16950692

SCHEMBL16950692

C[C](CO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ RXRG P48443 2/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RHOC P08134 2/20 0.36
▸ RHOA P61586 2/20 0.36
▸ P2RX1 P51575 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL16952545 0.88 CES2 (0.39) CES2RXRARXRBRXRGNOTUM
SCHEMBL16950849 0.88 CES2 (0.39) CES2RXRARXRBRXRGNOTUM
SCHEMBL16960304 0.87 NOTUM (0.54) CES2RXRARXRBRXRGNOTUM
SCHEMBL16956054 0.87 CES2 (0.38) CES2RXRARXRBRXRGTACR1
SCHEMBL16959714 0.85 NOTUM (0.38) CES2RXRARXRBRXRGNOTUM
SCHEMBL16950459 0.82 RXRA (0.42) CES2RXRARXRG
SCHEMBL16955954 0.82 CES2 (0.35) CES2RXRARXRBRXRGTACR1
SCHEMBL16955924 0.81 RXRA (0.45) CES2RXRARXRBRXRGNOTUM
SCHEMBL16951956 0.80 CES2 (0.56) CES2GAAP2RX1
SCHEMBL16955754 0.80 GABRA1 (0.46) RXRARXRBRXRGGAAMAPT

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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