SCHEMBL8892887

SCHEMBL8892887

O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@](O)(Br)O[C@@H]1COCc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR2 P21452 3/20 0.38
LGALS9 O00182 1/20 0.36
LGALS1 P09382 1/20 0.36
LGALS3 P17931 1/20 0.36
LGALS7; LGALS7B P47929 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PTPN1 P18031 6/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CDC25B P30305 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL8892883 1.00 NT5E (0.46) NT5EMAPTKMT2ASLC6A2SLC6A3
SCHEMBL4960765 0.86 MAPT (0.52) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL5139788 0.86 MAPT (0.52) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL652994 0.86 MAPT (0.52) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL4962623 0.86 MAPT (0.52) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8512700 0.82 MAPT (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8512702 0.82 MAPT (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL9137960 0.82 MAPT (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL11073044 0.82 MAPT (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8373150 0.78 NT5E (0.53) NT5EKMT2ASLC6A2SLC6A3TDP1

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-5658880-A PREVENT SELECTIN BINDING; ANTIINFLAMMATORY, ANTICANCER AGENTS; AIDS THERAPY GLYCOMED INCORPORATED (US) 1997-08-19 US disclosed