SCHEMBL7975427

SCHEMBL7975427

Oc1cccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2cccc(O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TSHR P16473 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 5/20 0.39
ENPP2 Q13822 1/20 0.39
HTT P42858 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 0.89 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL7989918 0.86 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL7986844 0.86 MAN2A1 (0.46) CA1CA2CA7CA9
SCHEMBL7975882 0.86 MAN2A1 (0.46) CA1CA2CA7CA9
SCHEMBL7990573 0.85 CYP4F2 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL7976558 0.84 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL7511915 0.83 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL7989295 0.83 CASR (0.52) CA1CA2CA7CA9TSHR
SCHEMBL7986919 0.82 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL7988903 0.82 CA1 (0.49) CA1CA2CA7CA9TSHR

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