SCHEMBL6239399

SCHEMBL6239399

CCC(C)CCC(=O)O.CCC(CC)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
CYP1A2 P05177 2/20 0.45
FOLH1 Q04609 2/20 0.43
MAPT P10636 1/20 0.41
CACNA2D1 P54289 2/20 0.39

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
SCHEMBL1199397 0.89
SCHEMBL50857 0.89
SCHEMBL3058981 0.89
Ethane SCHEMBL28105770 0.87 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Propane SCHEMBL1389588 0.87 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1680200 0.85 FOLH1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30423614 0.85 FOLH1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2803021 0.85 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14360110 0.81 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2801292 0.81 MAPT (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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-1549669-A1 TUMOR TARGETING AGENTS AND USES THEREOF Karyon OY (FI) 2005-07-06 EP disclosed
WO-2004031221-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed