SCHEMBL5962065

SCHEMBL5962065

CCOC(=O)C(C)=C(N)C(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.39
GAA P10253 1/20 0.39
PIN1 Q13526 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3315040 0.80 MEN1 (0.49) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL287308 0.77 MMP8 (0.56) MEN1KMT2AMMP8SMN1; SMN2CYP1A2
SCHEMBL30062331 0.77 MMP8 (0.56) MEN1KMT2AMMP8SMN1; SMN2CYP1A2
SCHEMBL10546414 0.77 CASP1 (0.55) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL7846833 0.73 MEN1 (0.46) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL27495661 0.73 MEN1 (0.40) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL9775596 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2950703 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13243841 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7854402 0.72 CHRM1 (0.39) KMT2AALDH1A1SMN1; SMN2CYP1A2CYP2D6

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-1635642-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF Arch UK Biocides Limited (GB) 2006-03-22 EP disclosed
WO-2004100665-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed