SCHEMBL5728665

SCHEMBL5728665

COc1cc([O])c(C)cc1SCc1ccccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.55
PPARA Q07869 6/20 0.55
PPARG P37231 3/20 0.55
ABCB1 P08183 8/20 0.41
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL5728669 0.88 PPARD (0.55) PPARDPPARAPPARGABCB1PTPRC
SCHEMBL6493346 0.85 PPARD (0.60) PPARDPPARAPPARGPTPRCPTPN2
SCHEMBL3811706 0.85 PPARD (0.77) PPARDPPARAPPARGPTPN1FFAR4
SCHEMBL5512756 0.84 PPARD (0.65) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL5994374 0.76 PPARD (0.53) PPARDPPARAPPARGABCB1
SCHEMBL30889094 0.73 APP (0.63) ABCB1PTPRCPTPN2PTPN1PTPRB
SCHEMBL5639337 0.71 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL1602178 0.71 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5513388 0.71 PPARD (0.83) PPARDPPARAPPARG
SCHEMBL2865421 0.70 RXRA (0.56) PTPRCPTPN2PTPN1PTPRBPTPN6

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
EP-1727541-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
WO-2005079790-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed