SCHEMBL16712268

SCHEMBL16712268

CCOc1c(O)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ MEP1B Q16820 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL16712267 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL1397026 0.90 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1IKBKBMEP1B
SCHEMBL1397051 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL14878304 0.89 MAPT (0.38) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL1397102 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL119198 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL16712293 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL16712289 0.82 TAS1R3 (0.36) TAS1R3TAS1R1IKBKBMEP1BMEN1
SCHEMBL1396996 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL1397100 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOTAS1R3

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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