SCHEMBL8856473

SCHEMBL8856473

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(C)ccnc1SCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
SOAT2 O75908 1/20 0.36
ACAT1 P24752 1/20 0.36
SOAT1 P35610 1/20 0.36
HAO1 Q9UJM8 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
CHRM1 P11229 1/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYSLTR2 Q9NS75 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
SCHEMBL8856240 0.94 SOAT2 (0.36) GPR84SOAT2ACAT1SOAT1KDM6B
SCHEMBL8856532 0.86 SOAT2 (0.34) GPR84SOAT2ACAT1SOAT1MMP9
SCHEMBL8856260 0.86 GAA (0.37) SOAT2ACAT1SOAT1ALDH1A1TSHR
SCHEMBL8856377 0.83 MMP9 (0.38) MMP9MMP13ADAM17ALDH1A1CYSLTR2
SCHEMBL8856180 0.80 GPR84 (0.36) GPR84SOAT2ACAT1SOAT1KDM6B
SCHEMBL8856079 0.80 PAK1 (0.34) HAO1KDM6BKDM4AKDM4DKDM3B
SCHEMBL8856147 0.79 MMP9 (0.35) GPR84SOAT2ACAT1SOAT1KDM6B
SCHEMBL8856471 0.78 GPR84 (0.36) GPR84SOAT1CHRM1ALDH1A1
SCHEMBL8856150 0.78 ALDH1A1 (0.44) SOAT2ACAT1SOAT1ALDH1A1
SCHEMBL8856190 0.76 PYGL (0.42) SOAT2ACAT1SOAT1ALDH1A1

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
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
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