SCHEMBL7045585

SCHEMBL7045585

O=C(O)c1cc(I)c(OCCC2CCCCC2)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.41
CXCR2 P25025 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
GCK P35557 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 4/20 0.38
PPARG P37231 3/20 0.38
PTGES O14684 2/20 0.38
PTGS2 P35354 1/20 0.38
PSEN1 P49768 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PLAU P00749 1/20 0.37
SCN9A Q15858 1/20 0.36
XDH P47989 1/20 0.36
HPGD P15428 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
SCHEMBL6720844 0.85 THRA (0.51) TPMTTHRATHRBXDH
SCHEMBL8812450 0.80 NFE2L2 (0.44) CXCR2NFE2L2ALOX5PPARGSCN9A
SCHEMBL28314163 0.77 TPMT (0.49) TPMTTHRATHRBPLAU
SCHEMBL26828022 0.76 TPMT (0.52) TPMTTHRATHRBPLAU
SCHEMBL12420721 0.75 GCK (0.47) NFE2L2KDM4CGCKALOX5PTGES
SCHEMBL7316232 0.75 NFE2L2 (0.62) NFE2L2GCKL3MBTL1HPGD
SCHEMBL2193712 0.73 KMT2A (0.58) NFE2L2GCKRAB9AHPGD
SCHEMBL12420822 0.72 NPC1 (0.54) NFE2L2KDM4CGCKNPC1RAB9A
SCHEMBL2195324 0.72 KDM4C (0.54) NFE2L2KDM4CGCKNPC1RAB9A
SCHEMBL11893098 0.71 CXCR2 (0.42) CXCR2NFE2L2NPC1RAB9AL3MBTL1

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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed