SCHEMBL6073017

SCHEMBL6073017

CN(CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccccc2)cc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.54
PPARA Q07869 8/20 0.54
KMT2A Q03164 2/20 0.52
RARG P13631 1/20 0.50
RXRA P19793 1/20 0.50
MAPT P10636 3/20 0.49
BLM P54132 2/20 0.49
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
NFKB1 P19838 1/20 0.49
TACR2 P21452 1/20 0.49

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
SCHEMBL5422785 0.96 PPARG (0.59) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073021 0.95 PPARG (0.54) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073101 0.94 PPARG (0.53) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073000 0.92 PPARG (0.49) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073252 0.90 KMT2A (0.48) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073433 0.90 PPARG (0.50) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073107 0.88 KMT2A (0.50) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6073180 0.88 KMT2A (0.56) PPARGPPARAKMT2ARARGRXRA
SCHEMBL6513163 0.86 PPARA (0.58) PPARGPPARAMAPTBLMLMNA
SCHEMBL5424377 0.84 KMT2A (0.56) PPARGPPARAKMT2ARARGRXRA

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-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed