SCHEMBL8045136

SCHEMBL8045136

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.56
ACAT1 P24752 1/20 0.56
SOAT1 P35610 1/20 0.56
HPGD P15428 4/20 0.42
CES2 O00748 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
ALOX12 P18054 1/20 0.40
FAAH O00519 4/20 0.38
CES1 P23141 4/20 0.38
PLA2G6 O60733 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL8080772 0.90 SOAT2 (0.50) SOAT2ACAT1SOAT1HPGDCES2
SCHEMBL8043376 0.89 SOAT2 (0.60) SOAT2ACAT1SOAT1HPGDCES2
SCHEMBL9446297 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446369 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446324 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446351 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446337 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446388 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446291 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT
SCHEMBL9446353 0.82 SOAT1 (0.53) SOAT2ACAT1SOAT1HPGDMAPT

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