SCHEMBL24672035

SCHEMBL24672035

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
LTA4H P09960 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
RNPEP Q9H4A4 1/20 0.37

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
SCHEMBL11159955 1.00 MME (0.47) MMEACECPA1ACE2SLC1A3
SCHEMBL1733951 0.84 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL1733993 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL8871986 0.77 CPN1 (0.50) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL19690672 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL1008671 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL7229428 0.76 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL15203782 0.76 CPN1 (0.48) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL2164847 0.76 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HGRN
SCHEMBL2164841 0.76 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HGRN

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
WO-2022224035-A2 ANTI-GM1 ANTIBODY BINDING COMPOUNDS POLYNEURON PHARMACEUTICALS AG (CH) 2022-10-27 WO disclosed