SCHEMBL9408949

SCHEMBL9408949

C=CC(=O)NCCCCC/C(=C\c1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 1/20 0.42
▸ ZDHHC2 Q9UIJ5 1/20 0.42
▸ TGM2 P21980 6/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.36
▸ HDAC3 O15379 7/20 0.36
▸ HDAC4 P56524 7/20 0.36
▸ HDAC1 Q13547 7/20 0.36
▸ HDAC7 Q8WUI4 7/20 0.36
▸ HDAC2 Q92769 7/20 0.36
▸ HDAC10 Q969S8 7/20 0.36
▸ HDAC11 Q96DB2 7/20 0.36
▸ HDAC8 Q9BY41 7/20 0.36
▸ HDAC9 Q9UKV0 7/20 0.36
▸ HDAC5 Q9UQL6 7/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PYGL P06737 1/20 0.33

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
SCHEMBL9408929 0.82 ZDHHC20 (0.43) ZDHHC20ZDHHC2TGM2HDAC6HDAC3
SCHEMBL8551790 0.78 MAPT (0.39) TGM2
SCHEMBL8551807 0.76 TGM2 (0.43) TGM2GAAALDH1A1TSHRMAPK1
SCHEMBL8549538 0.74 GRIK1 (0.46) ZDHHC20ZDHHC2TGM2HDAC6HDAC3
SCHEMBL8549459 0.74 PYGL (0.52) TGM2PYGL
SCHEMBL8547344 0.74 TGM2 (0.38) ZDHHC20ZDHHC2TGM2HDAC6HDAC3
SCHEMBL8550858 0.74 ALDH1A1 (0.47) TGM2HDAC1ALDH1A1
SCHEMBL8551077 0.74 RAB9A (0.37) ZDHHC20ZDHHC2TGM2GAAALDH1A1
SCHEMBL8545460 0.73 ALDH1A1 (0.34) TGM2GAAALDH1A1TSHRMAPK1
SCHEMBL8551267 0.72 ZDHHC20 (0.42) ZDHHC20ZDHHC2TGM2HDAC6HDAC3

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-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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