SCHEMBL8041413

SCHEMBL8041413

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.54
ACAT1 P24752 2/20 0.54
SOAT2 O75908 1/20 0.54
ESR1 P03372 2/20 0.36
PLK1 P53350 4/20 0.34
PDK1 Q15118 3/20 0.32
PDK2 Q15119 3/20 0.32
PDK3 Q15120 3/20 0.32
PDK4 Q16654 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G5 P39877 2/20 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
SCHEMBL8080878 0.87 SOAT2 (0.48) SOAT1ACAT1SOAT2ESR1PLK1
SCHEMBL8071721 0.85 SOAT2 (0.46) SOAT1ACAT1SOAT2ESR1THRB
Eflucimibe SCHEMBL8041449 0.85 SOAT2 (0.82) SOAT1ACAT1SOAT2PLK1ALDH1A1
SCHEMBL13193304 0.84 SOAT2 (0.52) SOAT1ACAT1SOAT2
SCHEMBL8071717 0.84 SOAT2 (0.52) SOAT1ACAT1SOAT2PLK1
SCHEMBL9446276 0.81 SOAT1 (0.49) SOAT1ACAT1SOAT2ESR1PDK1
SCHEMBL9446344 0.81 SOAT1 (0.49) SOAT1ACAT1SOAT2ESR1PDK1
SCHEMBL9446308 0.81 SOAT1 (0.49) SOAT1ACAT1SOAT2ESR1PDK1
SCHEMBL9446314 0.81 SOAT1 (0.49) SOAT1ACAT1SOAT2ESR1PDK1
SCHEMBL9446319 0.81 SOAT1 (0.49) SOAT1ACAT1SOAT2ESR1PDK1

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