SCHEMBL8995096

SCHEMBL8995096

CCCCCc1noc(OC(C)=O)c1CCCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ PPARA Q07869 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PTGS2 P35354 5/20 0.32
▸ THRB P10828 1/20 0.31
▸ FBP1 P09467 1/20 0.30

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
SCHEMBL8995000 0.71 TLR8 (0.38) PPARAL3MBTL1KMT2A
SCHEMBL5734668 0.70 PPARA (0.33) PPARAL3MBTL1KMT2A
SCHEMBL285375 0.69 GCGR (0.40) —
SCHEMBL17514350 0.68 MLYCD (0.40) PPARAALDH1A1KMT2A
SCHEMBL4564307 0.67 GAA (0.41) PPARAPPARGALDH1A1NPC1RAB9A
SCHEMBL27853904 0.66 ALOX5 (0.47) ALOX5PPARAPPARGALDH1A1PTGS2
SCHEMBL28212760 0.65 TYR (0.36) PPARAALDH1A1LMNAKMT2APTGS2
SCHEMBL109295 0.64 GCGR (0.35) HTTL3MBTL1NPC1RAB9A
SCHEMBL15255830 0.63 TLR8 (0.34) ALDH1A1HTTNPC1RAB9A
SCHEMBL31693622 0.61 CA12 (0.40) PPARAALDH1A1HTTKMT2AFBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725777-A1 PROCESS FOR PREPARING 3,4-DIARYL-5-ISOXAZOLYL ACETIC ACID DERIVATIVES F. JOH. KWIZDA GESELLSCHAFT M.B.H. (AT) 1996-08-14 — — EP disclosed
WO-1995011888-A1 PROCESS FOR PREPARING 3,4-DIARYL-5-ISOXAZOLYL ACETIC ACID DERIVATIVES F. JOH. KWIZDA GESELLSCHAFT M.B.H. (AT) 1995-05-04 — — WO disclosed
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