SCHEMBL28928680

SCHEMBL28928680

FC(F)(F)c1c[c]cc(OC2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.43
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ TEAD1 P28347 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ APP P05067 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL29256026 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL25178856 0.79 RORC (0.36) KMT2A
SCHEMBL2795192 0.77 SYK (0.43) SYKSLC6A2SLC6A4SLC6A3HDAC6
SCHEMBL29256025 0.72 TSHR (0.40) TP53MEN1KMT2AGRM2
SCHEMBL5122599 0.70 PDK2 (0.38) KMT2A
SCHEMBL28928648 0.69 EPHX2 (0.36) MMP12MMP13EPHX2
SCHEMBL27081628 0.69 KDM4E (0.49) EPHX2
SCHEMBL5423541 0.69 SOS1 (0.46) SYKSLC6A2SLC6A4SLC6A3PIK3CA
SCHEMBL1263834 0.69 SOS1 (0.46) SYKSLC6A2SLC6A4SLC6A3PIK3CA
SCHEMBL16987030 0.68 KAT2B (0.37) SYKSLC6A2SLC6A4SLC6A3APP

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-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 — — CN disclosed
Send feedback