SCHEMBL28587899

SCHEMBL28587899

CCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(OCC(F)(F)F)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 4/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACSL1 P33121 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL20597836 0.90 CETP (0.40) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL25276995 0.84 UTRN (0.40) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL29766681 0.84 UTRN (0.40) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL30711175 0.83 UTRN (0.34) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL26981436 0.83 UTRN (0.34) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL20734008 0.82 UTRN (0.32) UTRNHDAC6CYP1A2AHRHDAC3
SCHEMBL27150966 0.82 UTRN (0.39) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL29543305 0.82 UTRN (0.39) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL19302015 0.81 UTRN (0.37) UTRNHDAC6CYP1A2AHRMAPT
SCHEMBL29543430 0.80 UTRN (0.38) UTRNHDAC6CYP1A2AHRMAPT

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-108699050-B Benzoxazole compound or salt thereof, agricultural and horticultural insecticide containing said compound, and method for using said insecticide 日本农药株式会社 2021-06-11 — — CN disclosed
Send feedback