SCHEMBL7823689

SCHEMBL7823689

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.47
▸ PPARA Q07869 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL7823683 1.00 PPARG (0.47) PPARGPPARATLR8TLR7TP53
SCHEMBL7823687 0.83 PPARG (0.41) PPARGPPARATLR8TLR7TP53
SCHEMBL23519064 0.81 PPARG (0.51) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4008948 0.78 PPARG (0.67) PPARGPPARATLR8TLR7TP53
SCHEMBL16829661 0.74 PDE2A (0.50) PPARGKDM4EALDH1A1MRGPRX4KMT2A
SCHEMBL4008943 0.73 PPARG (0.52) PPARGPPARATLR8TLR7DDR1
SCHEMBL24733 0.72 LMNA (0.52) FABP4FABP5ALDH1A1KMT2ALMNA
SCHEMBL29398319 0.72 LMNA (0.52) FABP4FABP5ALDH1A1KMT2ALMNA
SCHEMBL24732 0.72 LMNA (0.52) FABP4FABP5ALDH1A1KMT2ALMNA
SCHEMBL197618 0.72 LMNA (0.52) FABP4FABP5ALDH1A1KMT2ALMNA

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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