SCHEMBL16955331

SCHEMBL16955331

CCc1cccc([CH]O)c1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ PDK2 Q15119 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOB P27338 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 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
SCHEMBL16959340 0.87 GABRA1 (0.32) GABRA1GABRB2LMNACHRM2CHRM1
SCHEMBL16958366 0.85 GABRA1 (0.37) GABRA1GABRB2PDK2LMNASMN1; SMN2
SCHEMBL16955328 0.81 CA1 (0.44) GABRA1GABRB2LMNAMEN1MAPT
SCHEMBL16955333 0.79 GABRA1 (0.45) GABRA1GABRB2PDK2PTPN5PTGER1
SCHEMBL16950925 0.79 GABRA1 (0.41) GABRA1GABRB2LMNASMN1; SMN2MEN1
SCHEMBL16954498 0.78 PDK2 (0.40) PDK2LMNASMN1; SMN2MEN1MAPT
SCHEMBL16951329 0.77 GABRA1 (0.42) GABRA1GABRB2PDK2LMNASMN1; SMN2
SCHEMBL16955011 0.77 SCN8A (0.38) PDK2LMNASMN1; SMN2SLC6A4
SCHEMBL16955658 0.77 GABRA1 (0.42) GABRA1GABRB2PDK2LMNAPTPN5
SCHEMBL16951326 0.76 GABRA1 (0.41) GABRA1GABRB2PDK2CHRM2CHRM1

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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