SCHEMBL9679702

SCHEMBL9679702

CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.49
SOAT2 O75908 3/20 0.49
ACAT1 P24752 1/20 0.49
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.42
NMBR P28336 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL9680743 0.90 SOAT1 (0.51) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9679685 0.87 SOAT1 (0.48) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9679354 0.85 SOAT1 (0.47) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9765050 0.81 SOAT1 (0.51) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9679689 0.80 RECQL (0.45) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9680651 0.79 THRB (0.48) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9678897 0.78 SOAT1 (0.57) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9844186 0.76 SOAT1 (0.63) SOAT1SOAT2ACAT1KMT2ALMNA
SCHEMBL9765049 0.76 SOAT2 (0.48) SOAT1SOAT2ACAT1
SCHEMBL9200734 0.74 SOAT1 (0.77) SOAT1SOAT2ACAT1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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