SCHEMBL28020366

SCHEMBL28020366

CCCCCCCCCCCCCCCCN[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.55
ACE P12821 5/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
EPHX1 P07099 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
PIN1 Q13526 2/20 0.47
CA2 P00918 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
FAAH O00519 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL6845237 0.86 EPHX1 (0.60) MMEACECPA1ACE2EPHX1
SCHEMBL6702715 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL3953856 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL17626994 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL30918986 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL16465927 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL6702717 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL17626995 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL21585496 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH
SCHEMBL28403707 0.85 FAAH (0.55) MMEACECPA1ACE2FAAH

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
CN-104744563-A Linear lipopeptide with lipophilic structure at end group, preparation method and application thereof INST PHARM & TOXICOLOGY AMMS 2015-07-01 CN disclosed