SCHEMBL8043445

SCHEMBL8043445

CCCCCCCCCCCCSC(C)C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.69
ACAT1 P24752 1/20 0.69
SOAT1 P35610 1/20 0.69
EPHX1 P07099 1/20 0.43
ESR1 P03372 2/20 0.36
PLK1 P53350 3/20 0.34
FFAR1 O14842 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PGR P06401 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL8043376 0.92 SOAT2 (0.60) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8049344 0.88 SOAT2 (0.67) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8080763 0.87 SOAT2 (0.57) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8049436 0.87 SOAT2 (0.68) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8042246 0.86 SOAT2 (0.67) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8416104 0.86 SOAT2 (0.67) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL8071724 0.85 SOAT2 (0.56) SOAT2ACAT1SOAT1EPHX1ESR1
SCHEMBL24482943 0.84 SOAT2 (0.62) SOAT2ACAT1SOAT1EPHX1ESR1
Eflucimibe SCHEMBL668294 0.82 SOAT2 (1.00) SOAT2ACAT1SOAT1PLK1LMNA
Eflucimibe SCHEMBL29427708 0.82 SOAT2 (1.00) SOAT2ACAT1SOAT1PLK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874812-B1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PF MEDICAMENT (FR) 2000-04-05 EP disclosed
US-5990173-A ANTICHOLESTEROL AGENTS; TREATING ATHEROSCLEROSIS; ENZYME INHIBITORS OF ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE (ACAT) PIERRE FABRE MEDICAMENT (FR) 1999-11-23 US disclosed
EP-0874812-A1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1998-11-04 EP disclosed
WO-1997019918-A1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1997-06-05 WO disclosed