SCHEMBL8813129

SCHEMBL8813129

CCCCCCOCCCCCCOC[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 2/20 0.52
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
CA12 O43570 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43

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
SCHEMBL8814294 1.00 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL7781137 0.97 CES2 (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL7851733 0.97 CES2 (0.54) MEN1THRBHTTKMT2AMAPT
SCHEMBL379520 0.97
SCHEMBL8810737 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL8811432 0.95 TSHR (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL8811016 0.95 TSHR (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL379913 0.95
SCHEMBL4396242 0.92 TSHR (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL8811961 0.90 HTT (0.44) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed