SCHEMBL8041409

SCHEMBL8041409

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 2/20 0.44
SOAT1 P35610 2/20 0.44
SOAT2 O75908 1/20 0.44
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 7/20 0.35
CNR1 P21554 6/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
TYR P14679 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30

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
SCHEMBL9446319 0.84 SOAT1 (0.49) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL9446276 0.84 SOAT1 (0.49) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL9446314 0.84 SOAT1 (0.49) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL9446344 0.84 SOAT1 (0.49) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL9446308 0.84 SOAT1 (0.49) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL893576 0.78 SOAT1 (0.47) ACAT1SOAT1SOAT2KDM4EMAPT
SCHEMBL8072066 0.77 ACAT1 (0.43) ACAT1SOAT1SOAT2KDM4ETP53
SCHEMBL8041447 0.76 SOAT2 (0.47) ACAT1SOAT1SOAT2MAPTESR1
SCHEMBL8049433 0.75 SOAT2 (0.46) ACAT1SOAT1SOAT2MAPTESR1
SCHEMBL8042243 0.75 SOAT2 (0.46) ACAT1SOAT1SOAT2MAPTESR1

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
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