SCHEMBL9844196

SCHEMBL9844196

CCN(CC)CCN(CC)C(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
SOAT1 P35610 3/20 0.47
SOAT2 O75908 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NLRP3 Q96P20 1/20 0.45
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9844236 0.81 SMN1; SMN2 (0.57) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL9843990 0.81 SMN1; SMN2 (0.54) SMN1; SMN2SOAT1
SCHEMBL9491944 0.79 LMNA (0.65) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL13328398 0.78 SOAT2 (0.55) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL9843936 0.77 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL6899771 0.76 SOAT1 (0.62) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL9844078 0.74 SOAT1 (0.56) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL28229524 0.74 SMN1; SMN2 (0.72) SMN1; SMN2SOAT1SOAT2KMT2AMEN1
SCHEMBL9844263 0.73 SOAT1 (0.52) SMN1; SMN2SOAT1
SCHEMBL9844086 0.73 SOAT1 (0.52) SMN1; SMN2SOAT1

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-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed