SCHEMBL7823687

SCHEMBL7823687

O=C(OC(=O)C(F)(F)Oc1cccc(C(F)(F)F)c1)C(O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7823689 0.83 PPARG (0.47) PPARGPPARACASP1TLR8TLR7
SCHEMBL7823683 0.83 PPARG (0.47) PPARGPPARACASP1TLR8TLR7
SCHEMBL4008948 0.72 PPARG (0.67) PPARGPPARATLR8TLR7TP53
SCHEMBL4008943 0.70 PPARG (0.52) PPARGPPARATLR8TLR7KDM4E
SCHEMBL23519064 0.69 PPARG (0.51) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL16829591 0.65 CASP1 (0.49) CASP1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11570463 0.63 KDM4E (0.50) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL3685278 0.63 CASP1 (0.56) CASP1ALDH1A1HTTKMT2A
SCHEMBL31506886 0.63 CASP1 (0.56) CASP1ALDH1A1HTTKMT2A
SCHEMBL22939 0.63 CASP1 (0.56) CASP1ALDH1A1HTTKMT2A

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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