SCHEMBL2948574

SCHEMBL2948574

CCOCC(C)OCC(C)OCC(C)OCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL2948132 1.00 TDP1 (0.42) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2943463 0.96 TDP1 (0.40) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2949738 0.88 TDP1 (0.58) TDP1FFAR3HDAC3HDAC1HDAC2
SCHEMBL2943509 0.88 TDP1 (0.58) TDP1FFAR3HDAC3HDAC1HDAC2
SCHEMBL2948549 0.86 TDP1 (0.38) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2949132 0.86 TDP1 (0.38) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2941038 0.85 TDP1 (0.36) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2952581 0.85 TDP1 (0.36) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2943255 0.85 TDP1 (0.36) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL15703250 0.85 TDP1 (0.42) TDP1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed