SCHEMBL16957013

SCHEMBL16957013

CC(C)Oc1cccc(CO)c1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ HCRTR1 O43613 6/20 0.35
▸ HCRTR2 O43614 6/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL1458318 0.84 IRAK4 (0.40) SLC6A2SLC6A4IRAK4CA1CA2
SCHEMBL16951131 0.84 GRIN2B (0.38) SLC6A2SLC6A4SLC6A3VNN1GRIN2B
SCHEMBL16950633 0.83 GRIN2B (0.43) KCNK3KCNK9HCRTR1HCRTR2GRIN2B
SCHEMBL16955564 0.81 ALDH1A1 (0.42) IRAK4CA1CA2
SCHEMBL16954501 0.80 ALDH1A1 (0.40) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL16959519 0.78 KCNK3 (0.36) KCNK3KCNK9SLC6A2SLC6A4IRAK4
SCHEMBL16957456 0.78 GABRA1 (0.46) KCNK3KCNK9SLC6A2CA1CA2
SCHEMBL16955269 0.78 ALDH1A1 (0.38) IRAK4CA1CA2CA7CA9
SCHEMBL16961972 0.78 CHRM2 (0.36) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL16957275 0.78 KCNK3 (0.44) KCNK3KCNK9HCRTR1HCRTR2SLC6A4

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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