SCHEMBL8320455

SCHEMBL8320455

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
CETP P11597 1/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DEGS1 O15121 1/20 0.40
PDE5A O76074 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL4983367 0.90 MAPK1 (0.39) HPGDPOLBCETPGAATDP1
SCHEMBL8325262 0.86 GPR84 (0.40) HPGDPOLBGAAL3MBTL1SMN1; SMN2
SCHEMBL8326103 0.84 SOAT1 (0.47) HPGDPOLBCETPGAATDP1
SCHEMBL8325945 0.84 SOAT1 (0.47) HPGDPOLBCETPGAATDP1
SCHEMBL8317765 0.84 SOAT1 (0.47) HPGDPOLBCETPGAATDP1
SCHEMBL4985802 0.82 RXFP1 (0.40) HPGDPOLBGAATDP1L3MBTL1
SCHEMBL4983723 0.79 LMNA (0.64) POLBGAASMN1; SMN2LMNAMAPK1
SCHEMBL4983244 0.79 LMNA (0.64) POLBGAASMN1; SMN2LMNAMAPK1
SCHEMBL4986541 0.79 LMNA (0.64) POLBGAASMN1; SMN2LMNAMAPK1
SCHEMBL4983652 0.79 LMNA (0.64) POLBGAASMN1; SMN2LMNAMAPK1

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 5 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
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed