SCHEMBL7089064

SCHEMBL7089064

C=C(CC(=O)OCc1cccc(Cl)c1Cl)C(=O)OCc1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
PNMT P11086 1/20 0.39
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7089127 0.88 POLB (0.48) IDO1POLBMMP1MMP2MMP9
SCHEMBL4607557 0.83 IDO1 (0.58) IDO1PNMTPOLBMMP1MMP2
SCHEMBL9355129 0.82 ALDH1A1 (0.45) POLBMMP1MMP2MMP9MMP12
SCHEMBL11167460 0.81 IDO1 (0.49) IDO1PNMTMMP1MMP2MMP9
SCHEMBL7086477 0.78 GAA (0.43) NPSR1MAPTRAB9AL3MBTL1LMNA
SCHEMBL23293689 0.77 IDO1 (0.51) IDO1PNMTPOLBMMP1MMP2
SCHEMBL9358976 0.77 GAA (0.51) IDO1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL8979685 0.77 ALDH1A1 (0.48) IDO1POLBMMP1MMP2MMP9
SCHEMBL2345808 0.76 IDO1 (0.58) IDO1PNMTPOLBMMP1MMP2
SCHEMBL7756741 0.75 IDO1 (0.56) IDO1PNMTMMP1MMP2MMP9

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
EP-1331494-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND PLASTIC LENS NOF CORPORATION (JP) 2003-07-30 EP disclosed