SCHEMBL8856401

SCHEMBL8856401

CCCCCCCCCCCCCC(=S)Nc1c(SCC)ncnc1SCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.48
PAK1 Q13153 1/20 0.34
DEGS1 O15121 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.32
CETP P11597 1/20 0.31
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL8856130 0.87 SOAT1 (0.49) SOAT1PAK1DEGS1HPGDRAB9A
SCHEMBL8856090 0.83 SOAT1 (0.46) SOAT1DEGS1RAB9ACETPNPC1
SCHEMBL8325263 0.77 SOAT1 (0.42) SOAT1ALDH1A1L3MBTL1
SCHEMBL8856395 0.73 CES2 (0.42) PAK1ALDH1A1HPGDRAB9ANPC1
SCHEMBL8856174 0.70 SOAT1 (0.47) SOAT1DEGS1HPGDRAB9ACETP
SCHEMBL8856160 0.70 DEGS1 (0.48) SOAT1DEGS1ALDH1A1HPGDRAB9A
SCHEMBL8856202 0.70 DEGS1 (0.48) SOAT1DEGS1ALDH1A1HPGDRAB9A
SCHEMBL8323664 0.67 SOAT1 (0.43) SOAT1ALDH1A1HPGDCETPL3MBTL1
SCHEMBL282145 0.65 SOAT1 (1.00) SOAT1
SCHEMBL28696320 0.64 CYP1A2 (0.58) SOAT1ALDH1A1HPGD

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
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