Sugi Predict

Sugi Predict / Compounds / SCHEMBL3457366

SCHEMBL3457366

SCHEMBL3457366

CC(=O)OCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.37
▸ PYGL P06737 1/20 0.35
▸ FABP4 P15090 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ SSTR5 P35346 1/20 0.30

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
SCHEMBL1466955 0.91 NOTUM (0.34) NOTUMPYGLCA1CA2
SCHEMBL1858890 0.90 NOTUM (0.39) NOTUMPYGLCA1CA2
SCHEMBL738385 0.89 NOTUM (0.36) NOTUMPYGLCA1CA2
SCHEMBL14956129 0.86 NOTUM (0.36) NOTUMPYGLCA1CA2
SCHEMBL13692112 0.86 NOTUM (0.36) NOTUMPYGLCA1CA2
SCHEMBL3456656 0.86 FABP4 (0.32) FABP4CA1CA2RECQL
SCHEMBL1466563 0.86 NOTUM (0.34) NOTUMPYGLCA1CA2
SCHEMBL1467143 0.86 NOTUM (0.37) NOTUMPYGLCA1CA2
SCHEMBL1801082 0.84 ACLY (0.33) CA1CA2RECQLSSTR5
SCHEMBL14727965 0.83 ACLY (0.35) CA1CA2RECQLSSTR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 — — WO disclosed