SCHEMBL4535196

SCHEMBL4535196

Cc1nc2cc(C(=O)O)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.72
PIK3C2B O00750 1/20 0.53
DCTPP1 Q9H773 2/20 0.52
CCR2 P41597 1/20 0.52
RHEB Q15382 1/20 0.52
TBXA2R P21731 1/20 0.52
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 1/20 0.51

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
SCHEMBL6172847 0.91 PPARG (0.60) PPARGPIK3C2BDCTPP1CCR2RHEB
SCHEMBL8035707 0.89 PPARG (0.64) PPARGHTTKMT2ARORC
SCHEMBL4532827 0.87 PPARG (0.68) PPARGDCTPP1TBXA2RMEN1MAPT
SCHEMBL8040521 0.86 PPARG (0.68) PPARGCCR2TBXA2RAGTR1AGTR2
SCHEMBL2161614 0.85 PPARG (0.65) PPARGAGTR1AGTR2MAPTHTT
SCHEMBL8028794 0.85 PPARG (0.69) PPARGCCR2TBXA2RAGTR1AGTR2
SCHEMBL8039631 0.85 PPARG (0.68) PPARGCCR2RORC
SCHEMBL8028791 0.84 PPARG (0.69) PPARGCCR2RHEBTBXA2RAGTR1
SCHEMBL8039286 0.83 PPARG (0.67) PPARGCCR2RHEBTBXA2R
SCHEMBL8037682 0.82 PPARG (0.72) PPARGRORC

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
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed