SCHEMBL23370321

SCHEMBL23370321

CC(F)(F)CCCn1ccc2cccc(Oc3ncc(Cl)cc3F)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ LTA4H P09960 7/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ BACE1 P56817 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ ERBB3 P21860 1/20 0.30
▸ ERBB4 Q15303 1/20 0.30
▸ NR3C1 P04150 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
SCHEMBL24853738 0.93 PPARG (0.36) PPARGLTA4HKCNH2HPGDGRM2
SCHEMBL23370323 0.86 CYP1A2 (0.35) HPGD
SCHEMBL24854490 0.77 CYP1A2 (0.34) —
SCHEMBL23370320 0.77 PPARG (0.36) PPARGLTA4HKCNH2HPGDBACE1
SCHEMBL24853576 0.72 LTA4H (0.37) PPARGLTA4HKCNH2HPGDBACE1
SCHEMBL23370318 0.69 CYP1A2 (0.35) HPGD
SCHEMBL24854048 0.67 LTA4H (0.36) PPARGLTA4HKCNH2BACE1
SCHEMBL23370307 0.67 NPC1 (0.36) —
SCHEMBL24765291 0.64 SLC6A4 (0.46) PPARGLTA4HKCNH2
SCHEMBL23795212 0.63 LTA4H (0.39) PPARGLTA4HKCNH2HPGDEGFR

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-2021094416-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-05-20 — — WO disclosed
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