SCHEMBL6509550

SCHEMBL6509550

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3ccc(C#N)cc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.42
RORC P51449 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEP1A Q16819 1/20 0.41
FFAR1 O14842 3/20 0.39
GFER P55789 1/20 0.39
PTGES O14684 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
VNN1 O95497 1/20 0.37
SNCA P37840 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6510768 0.89 ALDH1A1 (0.43) MEP1BPTGESALDH1A1HPGDL3MBTL1
SCHEMBL6509305 0.87 ALDH1A1 (0.38) MEP1BPTGESALDH1A1HPGDL3MBTL1
SCHEMBL6510665 0.86 MEP1B (0.39) MEP1BALDH1A1HPGDL3MBTL1
SCHEMBL6508797 0.86 ALDH1A1 (0.42) MEP1BMEP1APTGESALDH1A1HPGD
SCHEMBL6509513 0.83 SLC6A9 (0.41) MEP1BFFAR1ALDH1A1HPGDL3MBTL1
SCHEMBL6511874 0.83 AKR1B1 (0.43) ALDH1A1HPGDL3MBTL1
SCHEMBL6511152 0.82 ALDH1A1 (0.45) PTGESSIGMAR1TMEM97ALDH1A1HPGD
SCHEMBL6516317 0.81 FFAR4 (0.39) MEP1BFFAR1PTGESALDH1A1HPGD
SCHEMBL6511963 0.81 MEP1B (0.47) MEP1BMAOBFFAR1SIRT2
SCHEMBL6518329 0.80 NPC1 (0.39) MEP1BALDH1A1HPGDL3MBTL1

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed