SCHEMBL9835947

SCHEMBL9835947

CCCCNCCCS(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
EPHX2 P34913 1/20 0.36
NAAA Q02083 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 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
SCHEMBL9827152 0.93 LMNA (0.43) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL11858775 0.82 ALDH1A1 (0.45) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL9827620 0.79 HPGD (0.38) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL8469458 0.78 CA12 (0.50) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL3650210 0.76 ALDH1A1 (0.45) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL10612173 0.74 LMNA (0.53) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL9826766 0.74 LMNA (0.41) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL9181456 0.73 RECQL (0.52) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL10626068 0.73 LMNA (0.51) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL9826955 0.73 HPGD (0.40) LMNAHPGDHIF1AHSD17B10GAA

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-0215319-B1 GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP claimed