SCHEMBL31881

SCHEMBL31881

COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
PTGER2 P43116 1/20 0.51
PPARA Q07869 8/20 0.50
PPARD Q03181 4/20 0.50
PPARG P37231 4/20 0.50
NR1H4 Q96RI1 2/20 0.49
EPHX2 P34913 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL31944 0.92 PPARA (0.47) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31948 0.90 PPARA (0.58) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31942 0.84 PTGER4 (0.47) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL12636568 0.83 PTGER4 (0.52) PTGER4PTGER2PPARAPPARDPPARG
SCHEMBL31929 0.82 PDE4A (0.44) PPARAPPARDPPARG
SCHEMBL31932 0.81 PDE4A (0.44) PPARAPPARDPPARG
SCHEMBL31703 0.80 MRGPRX4 (0.47)
SCHEMBL31970 0.80 PDE4A (0.43) PPARAPPARDPPARG
SCHEMBL31947 0.77 LMNA (0.44)
SCHEMBL12636561 0.76 PPARA (0.49) 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