SCHEMBL10587306

SCHEMBL10587306

CC(C)[C@H](C[C@@H](O)[C@H](O)CC1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
LTA4H P09960 1/20 0.39
REN P00797 3/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CPB2 Q96IY4 2/20 0.36
CTSK P43235 2/20 0.35
MMP3 P08254 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL10589428 1.00 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL10588898 0.89 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL7291539 0.86 REN (0.53) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL10433749 0.86 REN (0.53) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL9177605 0.86 REN (0.53) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL21197392 0.83 LTA4H (0.44) SLC1A3SLC1A2SLC1A1LTA4HCPB2
SCHEMBL28948924 0.83 LTA4H (0.44) SLC1A3SLC1A2SLC1A1LTA4HCPB2
SCHEMBL22580186 0.78 LTA4H (0.43) SLC1A3SLC1A2SLC1A1LTA4HREN
SCHEMBL10587538 0.76 REN (0.54) RENCTSK
SCHEMBL4196007 0.75 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1LTA4HCPB2

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
EP-0329295-A1 Renin inhibiting peptides with polar end groups THE UPJOHN COMPANY (US) 1989-08-23 EP disclosed