SCHEMBL16250613

SCHEMBL16250613

CCCc1cccc(OC)c1C(=O)P(=O)(CC(=O)O)C(=O)c1c(O)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
BID P55957 5/20 0.42
MCL1 Q07820 5/20 0.42
BCL2L1 Q07817 4/20 0.42
BAK1 Q16611 4/20 0.42
KAT8 Q9H7Z6 3/20 0.42
EP300 Q09472 2/20 0.42
KAT5 Q92993 2/20 0.42
PPARG P37231 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
HMGCR P04035 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL692222 0.81 CA12 (0.55) PPARACA12CA1CA2CA7
SCHEMBL22408017 0.75 PPARA (0.78) PPARABIDMCL1BCL2L1BAK1
SCHEMBL2129140 0.70 BID (0.76) PPARABIDMCL1BCL2L1BAK1
SCHEMBL19605716 0.70 CA12 (0.67) PPARABIDMCL1BCL2L1BAK1
SCHEMBL67967 0.69 CA12 (0.53) PPARACA12CA1CA2CA7
SCHEMBL5997927 0.69 CA12 (0.46) PPARACA12CA1CA2CA7
SCHEMBL23162279 0.69 TAAR1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL14612075 0.68 PPARA (0.49) PPARACA12CA1CA2CA7
SCHEMBL5551371 0.68 PPARA (0.69) PPARABIDMCL1BCL2L1BAK1
SCHEMBL1033295 0.68 TSHR (0.50) CA12CA1CA2CA7CA9

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-2421903-B1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2014-11-19 EP disclosed