SCHEMBL6073010

SCHEMBL6073010

O=C(O)CN(Cc1ccc(OCCN2C(=O)COc3ccccc32)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMPD1 P17405 1/20 0.47
PPARA Q07869 7/20 0.46
PPARG P37231 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6073211 0.90 OPRK1 (0.51) OPRK1ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL6073548 0.83 OPRK1 (0.48) OPRK1ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL6073175 0.83 PPARA (0.44) ALDH1A1MAPTTSHRPPARAPPARG
SCHEMBL5428115 0.82 PPARA (0.56) OPRK1ALDH1A1TSHRSMPD1PPARA
SCHEMBL6073615 0.81 OPRK1 (0.48) OPRK1ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL27576382 0.81 L3MBTL1 (0.54) ALDH1A1TSHRL3MBTL1SMPD1MEN1
SCHEMBL6073497 0.80 OPRK1 (0.46) OPRK1ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL5428793 0.80 PPARA (0.52) OPRK1ALDH1A1TSHRL3MBTL1PPARA
SCHEMBL6073156 0.77 PPARA (0.44) PPARAPPARG
SCHEMBL5423669 0.77 PPARA (0.54) ALDH1A1MAPTSMPD1PPARAPPARG

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 1 patent. 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 disclosed