SCHEMBL6555809

SCHEMBL6555809

CCOC(=O)C(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)OCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.58
PPARG P37231 15/20 0.58
PPARD Q03181 2/20 0.58
MAPT P10636 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL6555767 0.93 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL6557956 0.92 PPARG (0.50) PPARAPPARGPPARDMAPTKCNH2
Lithium SCHEMBL7004819 0.92 PPARG (0.67) PPARAPPARGPPARDPGRADORA3
SCHEMBL7004808 0.92 PPARG (0.67) PPARAPPARGPPARDPGRADORA3
SCHEMBL7006234 0.92 PPARG (0.67) PPARAPPARGPPARDPGRADORA3
SCHEMBL6555846 0.91 PPARA (0.60) PPARAPPARGPPARDMAPTGAA
SCHEMBL7006236 0.90 PPARG (0.59) PPARAPPARGPPARDMAPT
Lithium Ion SCHEMBL7004812 0.90 PPARG (0.59) PPARAPPARGPPARDMAPT
SCHEMBL5935666 0.88 MAPT (0.48) PPARAPPARGPPARDMAPTKCNH2
SCHEMBL7005120 0.88 PPARG (0.51) PPARAPPARGPPARDMAPTKCNH2

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
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP claimed