SCHEMBL8043457

SCHEMBL8043457

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.47
SOAT2 O75908 1/20 0.47
ACAT1 P24752 1/20 0.47
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.33
ADRB2 P07550 4/20 0.32
CA1 P00915 2/20 0.31
GPR84 Q9NQS5 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
SCHEMBL8049340 0.87 SOAT1 (0.45) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL8041447 0.87 SOAT2 (0.47) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL8049433 0.86 SOAT2 (0.46) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL8042243 0.86 SOAT2 (0.46) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL9446292 0.84 SOAT2 (0.57) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL9446304 0.84 SOAT2 (0.57) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL668293 0.81 SOAT2 (0.57) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL9446282 0.78 SOAT2 (0.52) SOAT1SOAT2ACAT1ALDH1A1MAPT
SCHEMBL8417196 0.78 SOAT2 (0.42) SOAT1SOAT2ACAT1ALDH1A1LMNA
SCHEMBL893576 0.78 SOAT1 (0.47) SOAT1SOAT2ACAT1ALDH1A1LMNA

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