SCHEMBL4646880

SCHEMBL4646880

CC(C)c1ccc(NC(=O)C=COc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.64
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP1 P03956 3/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
EPHX1 P07099 1/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL4648115 0.85 HIF1A (0.51) EGFRMEN1KMT2AMMP1MMP2
SCHEMBL4645874 0.85 ALDH1A1 (0.57) EGFRRAB9ANPC1ALDH1A1MMP1
SCHEMBL4645027 0.84 MMP1 (0.61) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4646849 0.83 MMP1 (0.68) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4647079 0.82 MAPT (0.54) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4647932 0.82 MAPT (0.54) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4648316 0.81 MMP1 (0.61) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4644760 0.81 ALDH1A1 (0.54) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4648924 0.81 ALDH1A1 (0.58) EGFRRAB9ANPC1ALDH1A1MEN1
SCHEMBL4649146 0.81 ALDH1A1 (0.62) EGFRRAB9ANPC1ALDH1A1MEN1

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