SCHEMBL6555846

SCHEMBL6555846

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.60
PPARG P37231 11/20 0.60
PPARD Q03181 2/20 0.60
GFER P55789 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EIF4EBP1 Q13541 1/20 0.46

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
SCHEMBL6555630 0.94 PPARG (0.69) PPARAPPARGPPARD
SCHEMBL6556047 0.92 PPARG (0.52) PPARAPPARGPPARDGFERMAPT
SCHEMBL6555809 0.91 PPARA (0.58) PPARAPPARGPPARDMAPTGAA
SCHEMBL5935688 0.88 GFER (0.49) PPARAPPARGPPARDGFERMAPT
SCHEMBL6555933 0.85 PPARG (0.51) PPARAPPARGPPARDGFERMAPT
SCHEMBL6555781 0.85 PPARG (0.54) PPARAPPARGPPARDGFERMAPT
SCHEMBL5807356 0.85 TSHR (0.48) PPARAPPARGPPARDGFERMAPT
SCHEMBL6556018 0.84 MAPK1 (0.59) PPARAPPARGPPARDGAACYP2C9
SCHEMBL7754406 0.84 PPARG (0.50) PPARAPPARGPPARDGFERMAPT
SCHEMBL6555912 0.84 PPARG (0.53) PPARAPPARGPPARDGFERMAPT

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 4 patents. 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
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 disclosed
EP-1073643-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-02-07 EP disclosed
WO-1999008501-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-25 WO disclosed