SCHEMBL31939

SCHEMBL31939

COC(=O)C1(NCc2ccc(OC)c(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.56
PPARD Q03181 4/20 0.56
PPARG P37231 3/20 0.56
PTGER4 P35408 2/20 0.48
PTGER2 P43116 1/20 0.48
LIPG Q9Y5X9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE10A Q9Y233 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 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
SCHEMBL31780 0.79 PPARD (0.53) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31960 0.75 PPARA (0.63) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31861 0.74 PPARD (0.64) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634630 0.74 PPARA (0.59) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL2752926 0.74 PPARA (0.79) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31948 0.73 PPARA (0.58) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL6376945 0.73 PPARA (0.86) PPARAPPARDPPARG
SCHEMBL6375543 0.73 PPARA (0.86) PPARAPPARDPPARG
SCHEMBL12634652 0.73 PPARA (0.57) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL5147335 0.72 PPARA (1.00) PPARAPPARDPPARG

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