SCHEMBL16712289

SCHEMBL16712289

CCOc1c(O)nc(-c2ccc(Cl)c(OC)c2F)nc1OC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL16712286 0.91 MEP1B (0.37) TAS1R3TAS1R1MEP1BSCN9AKMT2A
SCHEMBL16712292 0.84 MEP1B (0.38) TAS1R3TAS1R1MEP1BSCN9A
SCHEMBL1397026 0.83 TAS1R3 (0.38) TAS1R3TAS1R1MEP1BIKBKBMAPT
SCHEMBL16712268 0.82 ALDH1A1 (0.38) TAS1R3TAS1R1MEP1BIKBKBMAPT
SCHEMBL17745513 0.81 DHPS (0.38) TAS1R3TAS1R1MEP1BSCN9A
SCHEMBL14878304 0.80 MAPT (0.38) TAS1R3TAS1R1MEP1BIKBKBMAPT
SCHEMBL2596682 0.78 MEP1B (0.36) TAS1R3TAS1R1MEP1BSCN9A
SCHEMBL1396996 0.78 ALDH1A1 (0.38) TAS1R3TAS1R1MEP1BMAPTNPC1
SCHEMBL17745506 0.76 MEP1B (0.35) TAS1R3TAS1R1MEP1BSCN9A
SCHEMBL1115268 0.75 TAS1R3 (0.39) TAS1R3TAS1R1MEP1B

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-2279178-B1 2-(substituted phenyl)-6-hydroxy- or alkoxy-5-substituted-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-05-20 — — EP claimed
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