SCHEMBL4645554

SCHEMBL4645554

O=C(C=COc1ccccc1)Nc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.61
MMP2 P08253 4/20 0.61
MMP9 P14780 4/20 0.61
EGFR P00533 2/20 0.61
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TRPA1 O75762 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 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
SCHEMBL4648657 0.82 EGFR (0.47) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4646176 0.81 EGFR (0.62) MMP1MMP2MMP9EGFRNPC1
SCHEMBL4645874 0.79 ALDH1A1 (0.57) MMP1MMP2MMP9EGFRNPC1
SCHEMBL30764101 0.79 MMP1 (0.71) MMP1MMP2MMP9EGFRTRPA1
SCHEMBL7814579 0.79 MMP1 (0.71) MMP1MMP2MMP9EGFRTRPA1
SCHEMBL7814581 0.79 MMP1 (0.71) MMP1MMP2MMP9EGFRTRPA1
SCHEMBL4646819 0.78 MAPT (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31116894 0.78 MMP1 (0.56) MMP1MMP2MMP9EGFRNPC1
N-(2-Chlorophenyl)Cinnamamide SCHEMBL3063601 0.76 MMP1 (1.00) MMP1MMP2MMP9EGFRNPC1
N-(2-Chlorophenyl)Cinnamamide SCHEMBL9988230 0.76 MMP1 (1.00) MMP1MMP2MMP9EGFRNPC1

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