SCHEMBL8856352

SCHEMBL8856352

CCCCCCCCC(CCCCCC)C(=S)Nc1c(SCCCCCC)ccc2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TLR8 Q9NR97 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALOX5 P09917 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 2/20 0.32
CACNA2D1 P54289 2/20 0.32
HTT P42858 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL8856287 0.92 TRPV1 (0.37) TRPV1ALDH1A1SMN1; SMN2ALOX5PPARG
SCHEMBL8856179 0.90 TRPV1 (0.36) TRPV1ALDH1A1SMN1; SMN2TLR8ALOX5
SCHEMBL8856078 0.88 ALDH1A1 (0.36) TRPV1ALDH1A1SMN1; SMN2ALOX5PPARG
SCHEMBL8856712 0.83 TLR8 (0.39) TRPV1ALDH1A1SMN1; SMN2TLR8L3MBTL1
SCHEMBL8856354 0.83 TRPV1 (0.37) TRPV1ALDH1A1SMN1; SMN2TLR8ALOX5
SCHEMBL8856361 0.83 TRPV1 (0.37) TRPV1ALDH1A1SMN1; SMN2TLR8ALOX5
SCHEMBL8856091 0.83 ALDH1A1 (0.33) TRPV1ALDH1A1SMN1; SMN2TLR8ALOX5
SCHEMBL8856302 0.81 KMT2A (0.38) TRPV1ALDH1A1SMN1; SMN2TLR8ALOX5
SCHEMBL8856357 0.81 TRPV1 (0.39) TRPV1ALOX5PPARGPPARAPTGS2
SCHEMBL8856274 0.80 KMT2A (0.46) TRPV1ALDH1A1SMN1; SMN2ALOX5PPARG

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
EP-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 EP 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
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