SCHEMBL16953201

SCHEMBL16953201

Cc1ccc([CH]O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
NOTUM Q6P988 1/20 0.36
S1PR1 P21453 3/20 0.36
NPFFR1 Q9GZQ6 2/20 0.35
NPFFR2 Q9Y5X5 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRK1 P41145 4/20 0.33
USP30 Q70CQ3 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
SCHEMBL1769710 0.80 KIF11 (0.47) APPTAS2R14ALKBH5NOTUMS1PR1
SCHEMBL16957018 0.80 TP53 (0.41) APPTAS2R14ALKBH5NOTUMS1PR1
SCHEMBL16952265 0.78 PTGS1 (0.42) APPNPFFR1NPFFR2PTGS1PTGS2
SCHEMBL16950767 0.76 APP (0.40) APPNOTUMNPFFR1NPFFR2PTGS1
SCHEMBL16952200 0.76 NPFFR2 (0.57) APPNOTUMNPFFR1NPFFR2
SCHEMBL16958704 0.76 MAPT (0.41) APPTAS2R14ALKBH5NOTUMNPFFR1
SCHEMBL16958461 0.76 APP (0.41) APP
SCHEMBL16952295 0.76 NOTUM (0.40) APPNOTUMS1PR1NPFFR1NPFFR2
SCHEMBL6632434 0.73 TUBB1 (0.46) PTGS1PTGS2
SCHEMBL16957249 0.73 APP (0.36) APPS1PR1NPFFR1NPFFR2PTGS1

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