SCHEMBL9681145

SCHEMBL9681145

CC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.56
SOAT1 P35610 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL9678602 0.88 MEN1 (0.50) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9679390 0.86 ALDH1A1 (0.58) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9680211 0.85 SOAT2 (0.52) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9679656 0.85 SOAT2 (0.60) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9680204 0.84 SOAT2 (0.51) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL6899771 0.84 SOAT1 (0.62) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9679857 0.83 SOAT2 (0.57) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL11143056 0.82 ALDH1A1 (0.58) SOAT2SOAT1KMT2ASMN1; SMN2LMNA
SCHEMBL13328414 0.82 SOAT2 (0.47) SOAT2SOAT1KMT2AMEN1SMN1; SMN2
SCHEMBL9463360 0.81 SOAT2 (0.55) SOAT2SOAT1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed