SCHEMBL7451964

SCHEMBL7451964

CC1(C)O[C@H]([C@H](O)COCc2ccccc2)[C@@H]([C@H](O)COCc2ccccc2F)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HSP90AA1 P07900 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7507530 0.94 HTT (0.39) HTTKMT2AMEN1GAAPOLB
SCHEMBL7992894 0.91 HTT (0.41) HTTCA1CA2CA7CA9
SCHEMBL7456495 0.89 HTT (0.36) HTTKMT2AMEN1POLBIDO1
SCHEMBL7451566 0.89 HTT (0.58) HTTCA1CA2CA7CA9
SCHEMBL7508403 0.88 HTT (0.42) HTTKMT2AMEN1HSP90AA1KDM4E
SCHEMBL7988725 0.85 HTT (0.35) HTTHSP90AA1
SCHEMBL7451582 0.85 HTT (0.41) HTTKMT2AMEN1
SCHEMBL7450571 0.84 HTT (0.53) HTTCA1CA2CA7CA9
SCHEMBL7450893 0.81 MAPT (0.49) HTTCA1CA2CA7CA9
SCHEMBL7990277 0.81 HTT (0.43) HTTCA1CA2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175385-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-01-30 EP disclosed
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed
WO-2000066524-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2000-11-09 WO disclosed