SCHEMBL8049436

SCHEMBL8049436

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.68
ACAT1 P24752 1/20 0.68
SOAT1 P35610 1/20 0.68
ESR1 P03372 2/20 0.35
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
PLK1 P53350 4/20 0.34
FFAR1 O14842 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL8042246 0.92 SOAT2 (0.67) SOAT2ACAT1SOAT1ESR1EPHX1
SCHEMBL8416104 0.92 SOAT2 (0.67) SOAT2ACAT1SOAT1ESR1EPHX1
SCHEMBL8086038 0.90 SOAT2 (0.59) SOAT2ACAT1SOAT1ESR1PLK1
SCHEMBL8079964 0.87 SOAT2 (0.56) SOAT2ACAT1SOAT1ESR1PLK1
SCHEMBL8043445 0.87 SOAT2 (0.69) SOAT2ACAT1SOAT1ESR1EPHX1
SCHEMBL8043291 0.85 SOAT2 (0.59) SOAT2ACAT1SOAT1ESR1EPHX1
SCHEMBL8049344 0.85 SOAT2 (0.67) SOAT2ACAT1SOAT1ESR1EPHX1
SCHEMBL24482943 0.81 SOAT2 (0.62) SOAT2ACAT1SOAT1ESR1EPHX1
Eflucimibe SCHEMBL29427708 0.81 SOAT2 (1.00) SOAT2ACAT1SOAT1LMNAPLK1
Eflucimibe SCHEMBL668294 0.81 SOAT2 (1.00) SOAT2ACAT1SOAT1LMNAPLK1

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-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