SCHEMBL8634263

SCHEMBL8634263

CCCCCCCCCc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.69
CA9 Q16790 5/20 0.69
CA1 P00915 3/20 0.69
CA2 P00918 2/20 0.69
KMT2A Q03164 1/20 0.59
PTPN1 P18031 3/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
IL2 P60568 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A2 O94788 1/20 0.49
ALDH2 P05091 1/20 0.49
ALDH1B1 P30837 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
PTPN2 P17706 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL3022467 1.00 CA12 (0.69) CA12CA9CA1CA2KMT2A
SCHEMBL382083 0.84 CA12 (0.74) CA12CA9CA1CA2KMT2A
SCHEMBL6228083 0.84 CA12 (0.74) CA12CA9CA1CA2KMT2A
SCHEMBL3366849 0.82 CA12 (0.71) CA12CA9CA1CA2KMT2A
SCHEMBL3361018 0.82 CA12 (0.70) CA12CA9CA1CA2KMT2A
SCHEMBL1526661 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL755988 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL2319034 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL10048269 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL15745917 0.82 CA12 (1.00) CA12CA9CA1CA2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817634-A Methods of treating diabetes mellitus and clycogen storage disease THE UAB RESEARCH FOUNDATION (US) 1998-10-06 US disclosed
US-5384128-A Method of and compounds for treatment for cystic fibrosis UNIVERSITY OF ALABAMA RESEARCH FOUNDATION (US) 1995-01-24 US disclosed