SCHEMBL8417196

SCHEMBL8417196

CCCCCCCCCCCCC(C(=S)Nc1cc(C)c(O)c(C)c1C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
GAA P10253 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5900901 0.84 SOAT2 (0.57) SOAT2ACAT1SOAT1TP53ALDH1A1
SCHEMBL668293 0.84 SOAT2 (0.57) SOAT2ACAT1SOAT1TP53ALDH1A1
SCHEMBL8041447 0.81 SOAT2 (0.47) SOAT2ACAT1SOAT1ALDH1A1LMNA
SCHEMBL8416085 0.80 SOAT2 (0.44) SOAT2ACAT1SOAT1GAAALDH1A1
SCHEMBL8049433 0.79 SOAT2 (0.46) SOAT2ACAT1SOAT1GAAALDH1A1
SCHEMBL8042243 0.79 SOAT2 (0.46) SOAT2ACAT1SOAT1ALDH1A1LMNA
SCHEMBL8043457 0.78 SOAT1 (0.47) SOAT2ACAT1SOAT1ALDH1A1LMNA
SCHEMBL8049340 0.76 SOAT1 (0.45) SOAT2ACAT1SOAT1ALDH1A1LMNA
SCHEMBL8417193 0.74 SOAT2 (0.73) SOAT2ACAT1SOAT1GAAALDH1A1
SCHEMBL8417517 0.74 SOAT1 (0.47) SOAT2ACAT1SOAT1GAACYP2C19

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
US-5990173-A ANTICHOLESTEROL AGENTS; TREATING ATHEROSCLEROSIS; ENZYME INHIBITORS OF ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE (ACAT) PIERRE FABRE MEDICAMENT (FR) 1999-11-23 US disclosed