SCHEMBL8325823

SCHEMBL8325823

CCCCCCC(Sc1ccc(C(C)(C)C)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PPARG P37231 12/20 0.44
PPARA Q07869 12/20 0.44
PTGES O14684 7/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL11660198 0.86 ALOX5 (0.43) ALOX5ALDH1A1MAPTNPSR1PPARG
SCHEMBL6656240 0.85 ALOX5 (0.49) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL6928817 0.84 ALOX5 (0.48) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL6927165 0.83 ALOX5 (0.53) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL8323519 0.83 ALOX5 (0.47) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL6929348 0.83 ALOX5 (0.53) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL6934185 0.82 ALOX5 (0.53) ALOX5PPARGPPARAPTGESMMP9
SCHEMBL11662875 0.82 ALOX5 (0.46) ALOX5ALDH1A1MAPTNPSR1PPARG
SCHEMBL1565028 0.79 ALOX5 (0.53) ALOX5ALDH1A1MAPTNPSR1PPARG
SCHEMBL11657452 0.79 PPARG (0.38) ALOX5PPARGPPARAPTGESMMP9

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 7 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 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
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
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