SCHEMBL1822674

SCHEMBL1822674

CCOC(Cc1ccc(OCCn2cccc2-c2cc(C)ccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.55
PPARA Q07869 17/20 0.55
PPARD Q03181 3/20 0.54
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL1338568 0.87 PPARG (0.64) PPARGPPARAPPARDPGRADORA3
SCHEMBL6076509 0.82 PPARG (0.54) PPARGPPARAPPARDPGRADORA3
SCHEMBL542828 0.82 PPARG (0.62) PPARGPPARAPPARDPGRADORA3
Ethane SCHEMBL1834451 0.79 PPARA (0.63) PPARGPPARAPPARDPGRADORA3
SCHEMBL1338522 0.79 PPARG (0.52) PPARGPPARAPPARDPGRADORA3
SCHEMBL542868 0.78 PPARG (0.61) PPARGPPARAPPARDPGRADORA3
SCHEMBL6076201 0.78 PPARG (0.44) PPARGPPARAPPARDPGRADORA3
SCHEMBL1338528 0.78 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL1822677 0.78 PGR (0.70) PPARGPPARAPPARDPGRADORA3
SCHEMBL543892 0.77 PPARA (0.60) PPARGPPARAPPARDPGRADORA3

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-1414439-B1 NOVEL PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILA HEALTHCARE LTD (IN) 2011-05-04 EP disclosed