SCHEMBL22897594

SCHEMBL22897594

C=C(C)c1cc(C(C)C)c(N)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.38
▸ P2RX3 P56373 5/20 0.35
▸ P2RX2 Q9UBL9 5/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL1099448 0.78 GAA (0.55) GAAPOLBGFERKDM4EP2RX3
SCHEMBL29631745 0.76 GAA (0.58) GAAPOLBGFERP2RX3P2RX2
SCHEMBL20780501 0.73 POLB (0.40) GAAPOLBGFERP2RX3P2RX2
SCHEMBL10289749 0.72 CFTR (0.37) GAAKDM4ENPC1ALDH1A1CYP3A4
SCHEMBL22897597 0.72 POLB (0.49) GAAPOLBGFERKDM4EP2RX3
SCHEMBL22897570 0.69 KDM4E (0.48) POLBKDM4EKCNK3KCNK9NPC1
SCHEMBL16098229 0.69 GAA (0.53) GAAPOLBKDM4ENPC1PDE4A
SCHEMBL5648795 0.69 GAA (0.63) GAAPOLBGFERP2RX3P2RX2
SCHEMBL19364117 0.68 GAA (0.62) GAAPOLBGFERKDM4EP2RX3
SCHEMBL19254874 0.67 GAA (0.48) GAAPOLBGFERKDM4EP2RX3

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
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
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