SCHEMBL6694097

SCHEMBL6694097

CCC(NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C(=O)N(O)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MAOB P27338 5/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
FFAR1 O14842 3/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.44
ADAM17 P78536 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42

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
SCHEMBL30002045 0.76 MME (0.53) MMP2MMP9MAOBMMEACE
SCHEMBL31441380 0.75 MME (0.54) MMP2MMP9MAOBMMEACE
SCHEMBL11477747 0.74 MEN1 (0.57) MAOBMMEACECPA1ACE2
SCHEMBL6685553 0.74 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL6685555 0.74 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL6687176 0.73 MAOB (0.65) MAOB
SCHEMBL6687173 0.73 MAOB (0.65) MAOB
SCHEMBL6687904 0.72 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL6687900 0.72 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL30794012 0.71 MAOB (0.61) MAOBFFAR1PPARGPPARASLC6A5

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-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed