SCHEMBL7989199

SCHEMBL7989199

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1cccs1)[C@@H](COCc1ccccc1)OCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 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
SCHEMBL7990187 0.94 ALDH1A1 (0.45) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7517976 0.94 ALDH1A1 (0.45) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7511715 0.92 NPSR1 (0.41) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7450924 0.88 NPSR1 (0.39) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL5742123 0.83 CA1 (0.56) SLC1A1CA1CA2CA7CA9
SCHEMBL7989987 0.83 NPSR1 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL7510667 0.80 NPSR1 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL7985922 0.78 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL7989918 0.78 CA1 (0.50) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7511915 0.78 CA1 (0.50) SLC1A1CA1CA2CA7CA9

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed