SCHEMBL4603257

SCHEMBL4603257

O=C(OI)N(CC=CCl)c1cc(OCc2ccccc2)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.36
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
BACE1 P56817 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTGER1 P34995 1/20 0.34
RXRA P19793 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8132061 0.76 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1734375 0.74 MRGPRX4 (0.43) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8131442 0.74 MRGPRX4 (0.39) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1734374 0.74 FFAR1 (0.37) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8141180 0.73 MRGPRX4 (0.38) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8135590 0.73 TSPO (0.43) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12154966 0.71 L3MBTL1 (0.34) MRGPRX4SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL13311249 0.69 L3MBTL1 (0.37) MRGPRX4SMN1; SMN2MAPTL3MBTL1PTGER1
SCHEMBL6959477 0.67 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30696120 0.67 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940789-A1 METHODS AND COMPOUNDS FOR PREPARING CC-1065 ANALOGS Medarex, Inc. (US) 2008-07-09 EP disclosed
WO-2007051081-A1 METHODS AND COMPOUNDS FOR PREPARING CC-1065 ANALOGS MEDAREX, INC. (US) 2007-05-03 WO disclosed