SCHEMBL8856090

SCHEMBL8856090

CCCCCCCCCCCCCC(=S)Nc1c(SCC)ccnc1SCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
GPR84 Q9NQS5 1/20 0.33
CETP P11597 1/20 0.33
LMNA P02545 3/20 0.32
DEGS1 O15121 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL8856174 0.84 SOAT1 (0.47) SOAT1GPR84CETPLMNADEGS1
SCHEMBL8856401 0.83 SOAT1 (0.48) SOAT1CETPLMNADEGS1POLB
SCHEMBL8325263 0.79 SOAT1 (0.42) SOAT1GPR84ALOX12HTTSMN1; SMN2
SCHEMBL8856130 0.70 SOAT1 (0.49) SOAT1CETPLMNADEGS1POLB
SCHEMBL8856232 0.70 GPR84 (0.32) SOAT1GPR84LMNA
SCHEMBL8323664 0.68 SOAT1 (0.43) SOAT1GPR84CETPPOLBKDM4E
SCHEMBL8856353 0.67 DEGS1 (0.47) SOAT1CETPLMNADEGS1POLB
SCHEMBL8856168 0.66 GPR84 (0.32) SOAT1GPR84
SCHEMBL8320455 0.65 HPGD (0.43) GPR84CETPLMNADEGS1POLB
SCHEMBL8856181 0.64 SOAT2 (0.52) SOAT1ALOX15

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