SCHEMBL7861765

SCHEMBL7861765

COc1ccc(COC(=O)c2c[nH]c(=O)c(CCO)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DAO P14920 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL31197981 0.80 MMP9 (0.51) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL7860490 0.77 ATM (0.45) MAPTALDH1A1ATMTSHR
SCHEMBL3344785 0.77 CA1 (0.47) MAPTALDH1A1LMNAKDM4EDAO
SCHEMBL3733635 0.76 LMNA (0.60) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL16689961 0.73 KMT2A (0.67) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL3344960 0.73 PTPN5 (0.47) NPC1RAB9ASMN1; SMN2LMNARXFP1
SCHEMBL5334332 0.71 MMP9 (0.59) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL1129093 0.70 MEN1 (0.77) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL2842512 0.70 KMT2A (0.71) MMP9MMP1NPC1MAPTRAB9A
SCHEMBL3729736 0.70 MAPT (0.58) MMP9MMP1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed