SCHEMBL8325262

SCHEMBL8325262

CCCCCCCCCCCCSCC(=O)Nc1c(SCC)cc(C)nc1SCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 2/20 0.35

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
SCHEMBL8320455 0.86 HPGD (0.43) GPR84POLBHSD17B10LMNAHPGD
SCHEMBL8323661 0.85 SOAT1 (0.42) GPR84RXFP1POLBTP53MAPT
SCHEMBL8856086 0.82 GPR84 (0.38) GPR84POLBTP53MAPTTHRB
SCHEMBL8856395 0.80 CES2 (0.42) POLBTP53MAPTTHRBCES2
SCHEMBL4985802 0.78 RXFP1 (0.40) RXFP1POLBTP53MAPTTHRB
SCHEMBL4983367 0.77 MAPK1 (0.39) RXFP1POLBHPGDCYP1A2GAA
SCHEMBL8341668 0.72 EPHX2 (0.35)
SCHEMBL8856167 0.71 CES2 (0.38) GPR84POLBTP53MAPTTHRB
SCHEMBL4986541 0.71 LMNA (0.64) POLBMAPTLMNAGAASMN1; SMN2
SCHEMBL4983723 0.71 LMNA (0.64) POLBMAPTLMNAGAASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609960-B1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER (US) 1999-03-03 EP disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed