SCHEMBL8322248

SCHEMBL8322248

CCCCCCCCCCC(C)(C)C(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 8/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ACAT1 P24752 1/20 0.49
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CCR2 P41597 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8321842 0.84 SOAT1 (0.50) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8317765 0.82 SOAT1 (0.47) SOAT1KDM4EALDH1A1TDP1
SCHEMBL8326103 0.82 SOAT1 (0.47) SOAT1KDM4EALDH1A1TDP1
SCHEMBL8325945 0.82 SOAT1 (0.47) SOAT1KDM4EALDH1A1TDP1
SCHEMBL8856319 0.81 ACAT1 (0.47) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8323636 0.81 SOAT1 (0.38) SOAT1
SCHEMBL9000801 0.79 SOAT1 (0.41) SOAT1GPR84TDP1
SCHEMBL9000882 0.79 SOAT1 (0.41) SOAT1GPR84TDP1
SCHEMBL9000921 0.79 SOAT1 (0.41) SOAT1GPR84TDP1
SCHEMBL9000483 0.79 SOAT1 (0.41) SOAT1GPR84TDP1

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 8 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 claimed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 — — EP claimed
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 claimed
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
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