SCHEMBL9844186

SCHEMBL9844186

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)NCC1(c2ccccc2)CCCC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.63
SOAT2 O75908 2/20 0.63
ACAT1 P24752 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 4/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.53
NMBR P28336 1/20 0.52
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL9200734 0.89 SOAT1 (0.77) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9641246 0.88 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL20591099 0.88 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9818653 0.87 SOAT1 (0.73) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9678897 0.86 SOAT1 (0.57) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9818696 0.84 SOAT1 (0.69) SOAT1SOAT2ACAT1NMBR
SCHEMBL9640319 0.83 SOAT1 (0.68) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9640371 0.82 SOAT1 (0.67) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9641191 0.82 SOAT1 (0.67) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9681083 0.81 SOAT1 (0.57) SOAT1SOAT2ACAT1SMN1; SMN2TP53

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