SCHEMBL7311328

SCHEMBL7311328

O=C(C[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
MMP1 P03956 3/20 0.41
FCER2 P06734 2/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
REN P00797 6/20 0.39
CTSS P25774 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
CTSC P53634 1/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7311305 1.00 LTA4H (0.44) LTA4HMMP1FCER2MMEACE
SCHEMBL7311365 1.00 LTA4H (0.44) LTA4HMMP1FCER2MMEACE
SCHEMBL7309228 0.83 LTA4H (0.47) LTA4HMMP1FCER2MMEACE
SCHEMBL7309261 0.83 LTA4H (0.47) LTA4HMMP1FCER2MMEACE
SCHEMBL7311343 0.83 REN (0.51) REN
SCHEMBL7309208 0.83 LTA4H (0.47) LTA4HMMP1FCER2MMEACE
SCHEMBL7318538 0.83 MME (0.45) LTA4HMMEPOLB
SCHEMBL7318567 0.83 MME (0.45) LTA4HMMEPOLB
SCHEMBL7318511 0.83 MME (0.45) LTA4HMMEPOLB
SCHEMBL7312785 0.77 POLB (0.53) CTSSALDH1A1HPGDPOLBCTSC

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
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed