SCHEMBL31861

SCHEMBL31861

COc1ccc(C=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.64
PPARA Q07869 4/20 0.64
PPARG P37231 3/20 0.64
PTGER4 P35408 2/20 0.57
PTGER2 P43116 1/20 0.57
PTPN7 P35236 1/20 0.53
DUSP3 P51452 1/20 0.53
LIPG Q9Y5X9 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL13954715 0.85 PTGER4 (0.73) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL5974242 0.82 PSEN1 (0.73) PPARDPPARAPPARGPTPN7DUSP3
SCHEMBL31930 0.80 MAPT (0.55) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL2752926 0.80 PPARA (0.79) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL12635851 0.80 HDAC3 (0.54) PPARDPPARAPPARGPTPN7DUSP3
SCHEMBL31960 0.79 PPARA (0.63) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL6940681 0.79 ALDH1A1 (0.54) POLBKMT2APDE10A
SCHEMBL5147335 0.79 PPARA (1.00) PPARDPPARAPPARGPSEN1PSEN2
SCHEMBL5469444 0.79 PPARA (0.73) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL2742676 0.79 PPARA (1.00) PPARDPPARAPPARGPSEN1PSEN2

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 2 patents. 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
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed