SCHEMBL16961707

SCHEMBL16961707

CC(C)Cc1cc(CO)cc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ CETP P11597 4/20 0.35
▸ ACACB O00763 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 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
SCHEMBL16959216 0.82 FFAR4 (0.43) FFAR4CYP4F2CYP4A11CETPGRIN2B
SCHEMBL2089811 0.82 FFAR4 (0.44) FFAR4CYP4F2CYP4A11CETPGRIN2B
SCHEMBL24180116 0.81 FFAR4 (0.37) FFAR4CYP4F2CYP4A11CETPACACB
SCHEMBL16959255 0.81 GRIN2B (0.40) FFAR4CETPACACBEPHX1GRIN2B
SCHEMBL31462949 0.81 FFAR4 (0.37) FFAR4CYP4F2CYP4A11CETPACACB
SCHEMBL16956020 0.81 ACACB (0.36) CETPACACBEPHX1GRIN2BEPHX2
SCHEMBL16959251 0.80 ACACB (0.32) CETPACACBEPHX1CHRM2CHRM1
SCHEMBL10159776 0.80 GRIN2B (0.40) FFAR4CETPACACBGRIN2B
SCHEMBL16959688 0.80 FFAR4 (0.40) FFAR4CYP4F2CYP4A11CETPACACB
SCHEMBL16955057 0.80 FFAR4 (0.42) FFAR4CYP4F2CYP4A11CETPACACB

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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