SCHEMBL8856602

SCHEMBL8856602

CCCCCCCC(CCCCCCC)C(=O)Nc1c(SC)ccc2ncccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HDAC8 Q9BY41 5/20 0.39
HDAC3 O15379 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
ALOX5 P09917 4/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL8856534 0.91 TRPV1 (0.41) TRPV1HDAC1HDAC2ALOX5PPARG
SCHEMBL9100179 0.90 TRPV1 (0.41) TRPV1HDAC1ALOX5PPARGPPARA
SCHEMBL8856161 0.90 TRPV1 (0.41) TRPV1HDAC1ALOX5PPARGPPARA
SCHEMBL9096755 0.90 TRPV1 (0.41) TRPV1HDAC1ALOX5PPARGPPARA
SCHEMBL8856179 0.87 TRPV1 (0.36) TRPV1ALOX5PPARGPPARAPTGES
SCHEMBL8856170 0.87 TRPV1 (0.39) TRPV1HDAC1ALOX5PPARGPPARA
SCHEMBL8856257 0.87 TRPV1 (0.39) TRPV1ALOX5PPARGPPARAPTGES
SCHEMBL8856184 0.87 TRPV1 (0.39) TRPV1ALOX5PPARGPPARAPTGES
SCHEMBL8856276 0.86 TRPV1 (0.38) TRPV1HDAC2ALOX5PPARGPPARA
SCHEMBL8856213 0.85 TRPV1 (0.41) TRPV1ALOX5PPARGPPARA

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
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
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