SCHEMBL7989295

SCHEMBL7989295

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc2ccccc2c1)[C@@H](COCc1ccccc1)OCc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.52
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TACR1 P25103 2/20 0.43
ALOX5 P09917 1/20 0.43
MAOB P27338 1/20 0.39
REN P00797 3/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5742123 0.87 CA1 (0.56) SLC1A1CA1CA2CA7CA9
SCHEMBL19828473 0.84 CASR (0.46) CASRSLC1A3SLC1A2SLC1A1CA1
SCHEMBL7989918 0.84 CA1 (0.50) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7975427 0.83 CA1 (0.46) CA1CA2CA7CA9TACR1
SCHEMBL7456407 0.83 LMNA (0.51) CA1CA2CA7CA9MAOB
SCHEMBL7988903 0.82 CA1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL7986919 0.82 CA1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL7990573 0.82 CYP4F2 (0.51) CA1CA2CA7CA9MAOB
SCHEMBL7504436 0.81 SMN1; SMN2 (0.48) CA1CA2CA7CA9TACR1
SCHEMBL7510633 0.81 CA1 (0.47) SLC1A3SLC1A2SLC1A1CA1CA2

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