SCHEMBL23714005

SCHEMBL23714005

CCCCNCC(C)C(=O)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GSK3B P49841 1/20 0.41
FOLH1 Q04609 7/20 0.41
CTSK P43235 3/20 0.41
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 3/20 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
NCOR2 Q9Y618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14089108 0.82 L3MBTL1 (0.54) SLC6A2SLC6A4SLC6A3HDAC1HDAC2
SCHEMBL19305014 0.75 PGR (0.47) SLC6A2SLC6A3HDAC1HDAC2HDAC3
SCHEMBL13517660 0.73 ALDH1A1 (0.40) SLC6A2SLC6A3HDAC1HDAC2HDAC3
SCHEMBL15283012 0.71 TSHR (0.42) GAA
SCHEMBL18782285 0.71 L3MBTL1 (0.63) FOLH1SMN1; SMN2
SCHEMBL21894546 0.71 GSK3B (0.52) SLC6A2SLC6A4SLC6A3GSK3BFOLH1
SCHEMBL18627182 0.68 LMNA (0.51) SLC6A3HDAC1HDAC2GAAHDAC3
SCHEMBL1964826 0.67 GSK3B (0.61) SLC6A2SLC6A4SLC6A3GSK3BGAA
SCHEMBL19022029 0.67 L3MBTL1 (0.71) FOLH1SMN1; SMN2
SCHEMBL8914361 0.67 NAAA (0.54) HDAC3

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-3858351-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FIBROSIS LTT Bio-Pharma Co., Ltd. (JP) 2021-08-04 EP disclosed