SCHEMBL31942

SCHEMBL31942

COc1ccc(CN2CC(=O)N(C3CC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
PTGER2 P43116 1/20 0.47
PPARA Q07869 6/20 0.47
PPARD Q03181 4/20 0.47
PPARG P37231 4/20 0.47
NR1H4 Q96RI1 2/20 0.46
HDAC6 Q9UBN7 1/20 0.42
LTA4H P09960 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MMP13 P45452 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL31880 0.91 PPARD (0.54) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31763 0.88 PPARA (0.45) PPARAPPARDPPARGHDAC6
SCHEMBL31881 0.84 PTGER4 (0.51) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL12634671 0.77 PPARA (0.55) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31944 0.76 PPARA (0.47) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31954 0.76 PPARA (0.54) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL12636568 0.76 PTGER4 (0.52) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31949 0.75 PPARA (0.55) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31948 0.74 PPARA (0.58) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31889 0.73 PPARA (0.51) PTGER4PTGER2PPARAPPARDPPARG

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
WO-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed