SCHEMBL6236052

SCHEMBL6236052

CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccc(C)c(C(=O)O)c3)oc2C)c(OC)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6236046 1.00 PPARG (0.39) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4850472 0.96 PPARG (0.40) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4850483 0.96 PPARG (0.40) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4845611 0.96 MAPT (0.38) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4845620 0.96 MAPT (0.38) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4848964 0.95 PPARG (0.36) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4848970 0.95 PPARG (0.36) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4850617 0.93 MAPT (0.38) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4850607 0.93 MAPT (0.38) PPARGPPARAMAPTALDH1A1HPGD
SCHEMBL4845278 0.92 MAPT (0.43) PPARGPPARAMAPTKMT2ATP53

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-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed