SCHEMBL7992886

SCHEMBL7992886

Nc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TACR1 P25103 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC1A1 P43005 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7510633 1.00 CA1 (0.47) CA1CA2CA7CA9MAOB
SCHEMBL5742123 0.91 CA1 (0.56) CA1CA2CA7CA9TACR1
SCHEMBL7976558 0.88 CA1 (0.47) CA1CA2CA7CA9MAOB
SCHEMBL7511915 0.88 CA1 (0.50) CA1CA2CA7CA9TACR1
SCHEMBL7989918 0.88 CA1 (0.50) CA1CA2CA7CA9TACR1
SCHEMBL7988903 0.86 CA1 (0.49) CA1CA2CA7CA9TACR1
SCHEMBL7986919 0.86 CA1 (0.49) CA1CA2CA7CA9TACR1
SCHEMBL6549684 0.85 CA1 (0.47) CA1CA2CA7CA9TACR1
SCHEMBL7987465 0.85 CA1 (0.47) CA1CA2CA7CA9TACR1
SCHEMBL7504436 0.85 SMN1; SMN2 (0.48) CA1CA2CA7CA9GAA

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