SCHEMBL7534852

SCHEMBL7534852

C=C([C](C(=O)[C@H](CC(C)CCC(C)S)NC)C(S)Cc1ccccc1)C(=O)[C@H](CC(C)C)NC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.47
ACE P12821 8/20 0.39
LTA4H P09960 1/20 0.39
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 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
SCHEMBL8652349 0.76 LTA4H (0.43) MMEACELTA4HMMP1MMP2
SCHEMBL7561050 0.74 MME (0.33) MMEACELTA4HMMP1MMP2
SCHEMBL17012265 0.68 LTA4H (0.67) MMELTA4HMMP1MMP2MMP3
SCHEMBL5869122 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL5870542 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL5869120 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL5869124 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL5869127 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL9068713 0.65 MME (1.00) MMEACELTA4HCPA1ACE2
SCHEMBL12594280 0.65 LTA4H (0.56) MMEACELTA4HMMP1MMP2

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-1192142-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000076985-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed