SCHEMBL6856717

SCHEMBL6856717

COc1cc(C(C)=O)ccc1OCCCOc1ccc(C(C)=O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.67
MAOB P27338 2/20 0.65
PRSS1 P07477 4/20 0.64
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53

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
SCHEMBL3994942 0.92 KMT2A (0.75) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL10260429 0.92 KMT2A (0.66) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL4001162 0.92 KMT2A (0.66) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL470710 0.92 KMT2A (0.66) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL29842346 0.92 KMT2A (0.66) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL6973871 0.91 KMT2A (0.64) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL10460872 0.91 KMT2A (0.64) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL22502336 0.91 THRA (0.64) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL20143893 0.91 KMT2A (0.64) KMT2AMEN1MAOBPRSS1TSHR
SCHEMBL1545288 0.91 KMT2A (0.64) KMT2AMEN1MAOBPRSS1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012123963-A2 A PROCESS FOR PREPARATION OF ILOPERIDONE AND AMORPHOUS CO- PRECIPITATE OF ILOPERIDONE WITH PHARMACEUTICALLY ACCEPTABLE EXCIPIENT MEGAFINE PHARMA (P) LTD. (IN) 2012-09-20 WO disclosed
WO-2011154860-A1 AN IMPROVED PROCESS FOR PREPARING ILOPERIDONE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2011-12-15 WO disclosed
WO-2011055188-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ILOPERIDONE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-05-12 WO disclosed