SCHEMBL13899564

SCHEMBL13899564

COC(=O)CN(C(=O)Oc1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
PPARA Q07869 6/20 0.47
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.40
NLRP3 Q96P20 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 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
SCHEMBL13720973 0.86 ALOX5 (0.41) PPARGPPARAFAAHALDH1A1GAA
SCHEMBL4907903 0.82 PPARG (0.45) PPARGPPARAACHEBCHEFAAH
SCHEMBL4907904 0.82 PPARG (0.45) PPARGPPARAACHEBCHEFAAH
SCHEMBL10184452 0.80 BCHE (0.50) PPARGPPARAACHEBCHEFAAH
SCHEMBL14281847 0.79 HIF1A (0.41) PPARGPPARAACHEBCHELMNA
SCHEMBL13899538 0.76 FAAH (0.42) PPARGPPARAACHEFAAHALDH1A1
SCHEMBL13721907 0.76 ALOX15 (0.42) PPARGPPARAALDH1A1GAALMNA
SCHEMBL13721776 0.76 ALOX15 (0.42) PPARGPPARAALDH1A1GAALMNA
SCHEMBL13899524 0.75 ALDH1A1 (0.37) PPARGALDH1A1GAALMNAMEN1
SCHEMBL13899504 0.75 ALDH1A1 (0.37) PPARGALDH1A1GAALMNAMEN1

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
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed