SCHEMBL4645874

SCHEMBL4645874

O=C(C=COc1ccccc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MMP1 P03956 5/20 0.56
MMP2 P08253 5/20 0.56
MMP9 P14780 5/20 0.56
MAOB P27338 3/20 0.56
EGFR P00533 2/20 0.56
MAOA P21397 1/20 0.56
TGM2 P21980 2/20 0.52
HIF1A Q16665 1/20 0.50
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
LPAR3 Q9UBY5 1/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL4648316 0.89 MMP1 (0.61) ALDH1A1MMP1MMP2MMP9MAOB
SCHEMBL4645027 0.89 MMP1 (0.61) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL4648924 0.89 ALDH1A1 (0.58) ALDH1A1MMP1MMP2MMP9MAOB
SCHEMBL4644760 0.89 ALDH1A1 (0.54) ALDH1A1MMP1MMP2MMP9MAOB
SCHEMBL4648510 0.88 ALDH1A1 (0.66) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL4646849 0.88 MMP1 (0.68) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL4649121 0.86 ALDH1A1 (0.51) ALDH1A1MMP1MMP2MMP9MAOB
SCHEMBL4647932 0.86 MAPT (0.54) ALDH1A1MMP1MMP2MMP9EGFR
SCHEMBL4646853 0.86 MGLL (0.55) ALDH1A1MMP1MMP2MMP9HIF1A
SCHEMBL4647079 0.86 MAPT (0.54) ALDH1A1MMP1MMP2MMP9EGFR

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed