SCHEMBL8812366

SCHEMBL8812366

CCC(C)CCCC(C)CCCC(C)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.45
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL2801292 1.00 MAPT (0.54) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2801432 0.96 MAPT (0.54) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2803147 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2803073 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2803111 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL232192 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL26624791 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2801314 0.94 MAPT (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL2803021 0.91 GABRP (0.50) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL1199397 0.91

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