SCHEMBL28932073

SCHEMBL28932073

COc1cc(COCC(F)(F)F)c(NC(=O)CCl)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL22897861 0.91 KDM4E (0.44) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL22897907 0.85 ALDH1A1 (0.43) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL22897846 0.83 MALT1 (0.42) MAPTKDM4EKMT2AMEN1CYP3A4
SCHEMBL29559840 0.80 ALDH1A1 (0.51) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL28694139 0.80 ALDH1A1 (0.55) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL22897508 0.80 ALDH1A1 (0.51) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL24534304 0.79 ALDH1A1 (0.47) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL22897749 0.79 AR (0.38) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL22897925 0.78 ALDH1A1 (0.40) MAPTMAPK1KDM4ENPC1MITF
SCHEMBL22897918 0.76 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9AKMT2A

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
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