SCHEMBL7249198

SCHEMBL7249198

CCOC(=O)/C(=C/c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.55
PPARG P37231 4/20 0.55
PPARD Q03181 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CACNA1B Q00975 4/20 0.41
CACNA1H O95180 2/20 0.41
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7251593 1.00 PPARA (0.55) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL7243669 0.92 PPARA (0.54) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL7243667 0.92 PPARA (0.54) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL6003755 0.92 PPARA (0.57) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL6003752 0.92 PPARA (0.57) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL6004647 0.92 PPARA (0.57) PPARAPPARGPPARDNR1H4MEN1
SCHEMBL14265701 0.86 MEN1 (0.52) PPARAPPARGMEN1KMT2APOLB
SCHEMBL14265693 0.81 MAPT (0.46) PPARAPPARGNR1H4KMT2APOLB
Alcohol SCHEMBL7257570 0.79 PPARA (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL7530767 0.79 MEN1 (0.52) PPARAPPARGMEN1KMT2APOLB

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
US-6608194-B1 Hypolipidemic, antihyperglycemic, antiobesity and hypocholes-terolemic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2003-08-19 US disclosed