SCHEMBL8809295

SCHEMBL8809295

Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCCCCC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
BCL9 O00512 6/20 0.42
CTNNB1 P35222 6/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL9056936 0.86 GAA (0.50) ALDH1A1NPSR1GAASMN1; SMN2LMNA
SCHEMBL8809779 0.86 GAA (0.52) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL8816831 0.85 ALDH1A1 (0.46) ALDH1A1BCL9CTNNB1HDAC1HDAC2
SCHEMBL8810690 0.83 GAA (0.46) ALDH1A1NPSR1GAABCL9CTNNB1
SCHEMBL8817749 0.83 NPSR1 (0.49) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL8808422 0.83 TP53 (0.52) ALDH1A1NPSR1GAALMNA
SCHEMBL8807180 0.83 GAA (0.49) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL8808845 0.83 GAA (0.51) ALDH1A1NPSR1GAA
SCHEMBL8809768 0.82 GAA (0.48) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL8807120 0.82 GAA (0.48) ALDH1A1NPSR1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed