SCHEMBL8871986

SCHEMBL8871986

O=C(O)C(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.50
CPB2 Q96IY4 2/20 0.50
LTA4H P09960 1/20 0.49
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
ATM Q13315 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL15203782 0.98 CPN1 (0.48) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL19815424 0.89 CPN1 (0.46) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL19815425 0.89 CPN1 (0.46) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL13711847 0.87 ATM (0.50) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL2856572 0.87 MMP2 (0.50) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL2484332 0.87 ATM (0.50) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL31109109 0.87 LTA4H (0.48) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL9208253 0.87 MMP2 (0.50) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL22341309 0.87 CPN1 (0.44) CPN1CPB2LTA4HSLC1A3SLC1A2
SCHEMBL13711848 0.87 ATM (0.50) CPN1CPB2LTA4HSLC1A3SLC1A2

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
US-5610177-A Acylated amino acids as endothelin antagonists WARNER-LAMBERT COMPANY (US) 1997-03-11 US disclosed
EP-0353211-A1 New compounds Aktiebolaget Hässle (SE) 1990-01-31 EP disclosed