SCHEMBL28942006

SCHEMBL28942006

C=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HCRTR2 O43614 1/20 0.44
TP53 P04637 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL28942001 0.84 EGFR (0.53) L3MBTL1TP53MMP1MMP2MMP9
SCHEMBL28941989 0.84 ALDH1A1 (0.51) POLBL3MBTL1TP53MMP1MMP2
SCHEMBL28941999 0.80 NHERF1 (0.53) MMP1MMP2MMP9SMN1; SMN2GAA
SCHEMBL28942009 0.80 ALDH1A1 (0.52) POLBSMN1; SMN2GAAKMT2ALMNA
SCHEMBL28942000 0.80 KMT2A (0.51) SMN1; SMN2GAAKMT2ALMNAHTT
SCHEMBL18448869 0.78 FFAR4 (0.56) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL28941982 0.77 KDM1A (0.44) L3MBTL1MMP1MMP2MMP9SMN1; SMN2
SCHEMBL28941974 0.77 KMT2A (0.53) MMP1MMP2MMP9SMN1; SMN2GAA
SCHEMBL19629737 0.77 SMN1; SMN2 (0.56) POLBFFAR4HDAC1HDAC8HDAC3
SCHEMBL30363330 0.76 GAA (0.55) POLBL3MBTL1SMN1; SMN2GAAKMT2A

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-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed