SCHEMBL21361764

SCHEMBL21361764

CC(C)=C(C)c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
DYRK1A Q13627 2/20 0.43
EPHX2 P34913 1/20 0.41
SCN4A P35499 1/20 0.41
PPARA Q07869 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MGLL Q99685 1/20 0.36
CSNK1D P48730 2/20 0.36
DHPS P49366 1/20 0.34
CES2 O00748 2/20 0.34

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
SCHEMBL31262807 0.79 BCL2L1 (0.54) CHRNA7DYRK1AEPHX2SCN4APPARA
SCHEMBL120469 0.79 BCL2L1 (0.54) CHRNA7DYRK1AEPHX2SCN4APPARA
SCHEMBL147472 0.77 CHRNA7 (0.48) CHRNA7DYRK1AEPHX2SCN4APPARA
SCHEMBL30456961 0.77 DYRK1A (0.50) CHRNA7DYRK1AEPHX2SCN4APPARA
SCHEMBL4654119 0.77 HDAC1 (0.52) CHRNA7DYRK1APPARAHDAC1HDAC3
SCHEMBL147805 0.74 EPHX2 (0.46) CHRNA7DYRK1AEPHX2SCN4APPARA
SCHEMBL3613052 0.74 PTPN2 (0.55) CHRNA7HDAC1HDAC3HDAC4HDAC6
SCHEMBL3607907 0.73 CLK1 (0.56) CHRNA7DYRK1APPARAHDAC1HDAC3
SCHEMBL4653965 0.73 CHRNA7 (0.45) CHRNA7DYRK1APPARAHDAC1HDAC3
SCHEMBL34471458 0.72 EPHX2 (0.41) CHRNA7DYRK1AEPHX2SCN4APPARA

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
EP-3268361-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed