SCHEMBL31943

SCHEMBL31943

COc1ccc(CN2CC(=O)N(CCN3CCOCC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
CNR2 P34972 1/20 0.48
LMNA P02545 2/20 0.45
LIPG Q9Y5X9 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.42
BCL3 P20749 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL31954 0.89 PPARA (0.54) PPARGPPARDPPARACNR2LMNA
SCHEMBL31949 0.88 PPARA (0.55) PPARGPPARDPPARACNR2LMNA
SCHEMBL31889 0.84 PPARA (0.51) PPARGPPARDPPARALMNALIPG
SCHEMBL31880 0.81 PPARD (0.54) PPARGPPARDPPARACNR2LMNA
SCHEMBL31948 0.80 PPARA (0.58) PPARGPPARDPPARACNR2LMNA
SCHEMBL12636184 0.77 PPARA (0.59) PPARGPPARDPPARACNR2LMNA
SCHEMBL12636546 0.77 PPARA (0.61) PPARGPPARDPPARACNR2LMNA
SCHEMBL31780 0.75 PPARD (0.53) PPARGPPARDPPARACNR2LIPG
SCHEMBL12634669 0.75 PPARA (0.61) PPARGPPARDPPARALMNALIPG
SCHEMBL12634655 0.74 PPARA (0.58) PPARGPPARDPPARACNR2LMNA

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