SCHEMBL31780

SCHEMBL31780

COc1ccc(CN2C(=O)NC(=O)C23CCOCC3)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
PPARG P37231 2/20 0.53
PTGER4 P35408 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
PTGER2 P43116 1/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CNR2 P34972 3/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TUBB4A P04350 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
SCHEMBL31940 0.86 PPARA (0.58) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL31939 0.79 PPARA (0.56) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL31948 0.79 PPARA (0.58) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12634630 0.78 PPARA (0.59) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL31943 0.75 PPARG (0.50) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12634663 0.75 PPARA (0.60) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12636176 0.74 PPARD (0.57) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12636184 0.74 PPARA (0.59) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12636546 0.74 PPARA (0.61) PPARDPPARAPPARGPTGER4LIPG
SCHEMBL12634669 0.74 PPARA (0.61) PPARDPPARAPPARGPTGER4LIPG

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