SCHEMBL8811352

SCHEMBL8811352

CCCCCCSCCCCCC[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
THRB P10828 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA2 P00918 1/20 0.50
FAAH O00519 4/20 0.45
CES1 P23141 4/20 0.45
PLA2G6 O60733 1/20 0.45
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
EPHX1 P07099 1/20 0.38
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37

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
SCHEMBL8050737 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL8813994 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL4159939 1.00 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL4499982 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL7001843 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL7000978 0.95 CES2 (0.46) CES2THRBGMNNTP53POLB
SCHEMBL10590914 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL14814300 0.95 CES2 (0.52) CES2THRBGMNNTP53POLB
SCHEMBL14814096 0.92 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL6721928 0.92 CES2 (0.43) CES2THRBGMNNTP53POLB

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