SCHEMBL2185643

SCHEMBL2185643

CCOC(=O)C(Cc1c[nH]c2ccccc12)NCCCCCCCC/C=C\CCCCCCCC=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
TACR1 P25103 5/20 0.47
NMBR P28336 2/20 0.47
BCHE P06276 2/20 0.47
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL5388718 0.93 MMP2 (0.51) MMP2MMP3MAPTTP53LMNA
SCHEMBL5388714 0.93 MMP2 (0.51) MMP2MMP3MAPTTP53LMNA
SCHEMBL5388724 0.93 MMP2 (0.51) MMP2MMP3MAPTTP53LMNA
SCHEMBL3125993 0.87 ALOX15 (0.54) MMP2MAPTLMNAMEN1KMT2A
SCHEMBL6264591 0.87 BCHE (0.56) MMP2MMP3MAPTTP53LMNA
SCHEMBL11588634 0.82 ALOX15 (0.56) MMP2BCHEMEN1KMT2AALOX15
SCHEMBL11588631 0.82 ALOX15 (0.56) MMP2BCHEMEN1KMT2AALOX15
SCHEMBL28378277 0.82 ALOX15 (0.56) MMP2BCHEMEN1KMT2AALOX15
SCHEMBL659943 0.81 MAPT (0.57) MMP2MMP3MAPTTP53LMNA
SCHEMBL7076128 0.80 MEN1 (0.62) MMP2MMP3MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341924-A2 METHODS OF TREATING HEPATITIS C VIRUS INFECTION The J. David Gladstone Institutes (US) 2011-07-13 EP disclosed