SCHEMBL6555630

SCHEMBL6555630

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.69
PPARA Q07869 17/20 0.69
PPARD Q03181 4/20 0.69
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
ADRA1A P35348 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL6555846 0.94 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL6555767 0.90 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL6555781 0.90 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL7004808 0.89 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
SCHEMBL7006234 0.89 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
Lithium SCHEMBL7004819 0.89 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
SCHEMBL6555912 0.88 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL7006010 0.87 PPARG (0.65) PPARGPPARAPPARDPGRADORA3
SCHEMBL6556047 0.87 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL6555933 0.86 PPARG (0.51) PPARGPPARAPPARD

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