SCHEMBL7045808

SCHEMBL7045808

O=C(O)c1cc(I)c(OCC2CCCCO2)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
PTGER1 P34995 1/20 0.41
MGLL Q99685 2/20 0.40
HCAR3 P49019 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.79 THRA (0.51)
SCHEMBL2886641 0.77 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL8555091 0.73 NPC1 (0.53) RAB9ASMN1; SMN2NPC1PTGER1
SCHEMBL17802767 0.73 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL839875 0.73 HCAR3 (0.56) RAB9ASMN1; SMN2NPC1MAPTHCAR3
SCHEMBL16396946 0.73 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL17908114 0.73 PTGER1 (0.56) RAB9ASMN1; SMN2NPC1MAPTPTGER1
SCHEMBL16396789 0.73 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL417903 0.72 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL565748 0.72 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MAPTMEN1

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