SCHEMBL16955057

SCHEMBL16955057

CC(C)Oc1cc(CO)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ CETP P11597 4/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32

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
SCHEMBL27377085 0.87 FFAR4 (0.36) FFAR4GRIN2BCYP4F2CYP4A11CETP
SCHEMBL27378280 0.87 FFAR4 (0.36) FFAR4GRIN2BCYP4F2CYP4A11CETP
SCHEMBL2089811 0.86 FFAR4 (0.44) FFAR4GRIN2BCYP4F2CYP4A11CETP
SCHEMBL22090010 0.83 GRIN2B (0.41) FFAR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5107914 0.82 GRIN2D (0.55) FFAR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16953625 0.81 GRIN2D (0.44) FFAR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16950420 0.81 GRIN2B (0.42) FFAR4GRIN2BCYP4F2CYP4A11ALDH1A1
SCHEMBL16961707 0.80 FFAR4 (0.40) FFAR4GRIN2BCYP4F2CYP4A11CETP
SCHEMBL16959688 0.80 FFAR4 (0.40) FFAR4GRIN2BCYP4F2CYP4A11CETP
SCHEMBL16959216 0.79 FFAR4 (0.43) FFAR4GRIN2BCYP4F2CYP4A11CETP

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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