SCHEMBL7450893

SCHEMBL7450893

Cc1c(COC[C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@H](O)COCc2ccccc2)cccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.44
EDNRA P25101 1/20 0.38
PTGER1 P34995 3/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
TRPV6 Q9H1D0 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LIPE Q05469 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7455629 0.99 MAPT (0.50) MAPTTDP1L3MBTL1MAPK1HTT
SCHEMBL7451566 0.84 HTT (0.58) MAPK1HTTCA1CA2CA7
SCHEMBL7451964 0.81 HTT (0.48) TDP1MAPK1HTTCA1CA2
SCHEMBL7508403 0.81 HTT (0.42) MAPTTDP1L3MBTL1HTTHTR1A
SCHEMBL7976000 0.81 HTT (0.50) HTTCYP2C19KMT2AGAA
SCHEMBL7450571 0.79 HTT (0.53) MAPK1HTTCA1CA2CA7
SCHEMBL7508484 0.79 HTT (0.40) HTTHTR1AMEN1KMT2A
SCHEMBL7448869 0.76 HTT (0.50) MAPK1HTTCA1CA2CA7
SCHEMBL7451582 0.76 HTT (0.41) HTTMEN1KMT2A
SCHEMBL7447542 0.75 HTT (0.45) HTTCA1CA2CA7CA9

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
EP-1175385-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-01-30 EP disclosed
WO-2000066524-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2000-11-09 WO disclosed