SCHEMBL9681083

SCHEMBL9681083

CC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.57
SOAT2 O75908 1/20 0.57
ACAT1 P24752 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.48
NMBR P28336 1/20 0.48
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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 0.84 SOAT1 (0.77) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9851077 0.84 SOAT2 (0.51) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
Hydrochloric Acid SCHEMBL20591099 0.83 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9641246 0.83 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9818653 0.82 SOAT1 (0.73) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9678897 0.81 SOAT1 (0.57) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9844186 0.81 SOAT1 (0.63) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9818696 0.79 SOAT1 (0.69) SOAT1SOAT2ACAT1NMBR
SCHEMBL9316305 0.79 SOAT1 (0.54) SOAT1SOAT2ACAT1SMN1; SMN2NMBR
SCHEMBL9640319 0.78 SOAT1 (0.68) SOAT1SOAT2ACAT1SMN1; SMN2NMBR

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