SCHEMBL8417517

SCHEMBL8417517

CCCCCCCCCCCCC(C(=S)Nc1cc(C)c(O)c(C)c1C)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.47
SOAT2 O75908 1/20 0.47
ACAT1 P24752 1/20 0.47
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.35
LTC4S Q16873 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL668293 0.83 SOAT2 (0.57) SOAT1SOAT2ACAT1KMT2AALOX5
SCHEMBL5900901 0.83 SOAT2 (0.57) SOAT1SOAT2ACAT1KMT2AALOX5
SCHEMBL8042221 0.78 SOAT2 (0.72) SOAT1SOAT2ACAT1KMT2AKDM4E
SCHEMBL8043457 0.76 SOAT1 (0.47) SOAT1SOAT2ACAT1MAPTALDH1A1
SCHEMBL8041447 0.76 SOAT2 (0.47) SOAT1SOAT2ACAT1MAPTALDH1A1
SCHEMBL8416085 0.76 SOAT2 (0.44) SOAT1SOAT2ACAT1KMT2AKDM4E
SCHEMBL8042243 0.75 SOAT2 (0.46) SOAT1SOAT2ACAT1MAPTALDH1A1
SCHEMBL8049433 0.75 SOAT2 (0.46) SOAT1SOAT2ACAT1L3MBTL1MAPT
SCHEMBL8417196 0.74 SOAT2 (0.42) SOAT1SOAT2ACAT1MAPTALDH1A1
SCHEMBL8859487 0.74 KDM4E (0.43) SOAT1KMT2AKDM4EL3MBTL1CNR2

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
US-5990173-A ANTICHOLESTEROL AGENTS; TREATING ATHEROSCLEROSIS; ENZYME INHIBITORS OF ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE (ACAT) PIERRE FABRE MEDICAMENT (FR) 1999-11-23 US disclosed