SCHEMBL8856232

SCHEMBL8856232

CCCCCCCCC(CCCCCC)C(=S)Nc1c(C)ccnc1SCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.32
SOAT1 P35610 1/20 0.31
HDAC8 Q9BY41 4/20 0.30
HDAC3 O15379 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL8856471 0.92 GPR84 (0.36) GPR84SOAT1ALDH1A1LMNAMAPT
SCHEMBL8856254 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMAPT
SCHEMBL8856530 0.84 LMNA (0.31) LMNAMAPT
SCHEMBL8856140 0.84 PAK1 (0.32) SOAT1HDAC8HDAC3HDAC6HDAC1
SCHEMBL8856367 0.81 ALDH1A1 (0.35) ALDH1A1LMNAMAPT
SCHEMBL8319270 0.79 LMNA (0.30) LMNA
SCHEMBL8856168 0.78 GPR84 (0.32) GPR84SOAT1HDAC8HDAC3HDAC6
SCHEMBL8856912 0.77
SCHEMBL8856626 0.77 SOAT1 (0.30) SOAT1
SCHEMBL8856252 0.73 CYP1A2 (0.35) SOAT1HDAC8HDAC3HDAC6HDAC1

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
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed