SCHEMBL13625651

SCHEMBL13625651

O=C(OCC1CCOC1)c1cc(CO)cc(C(=O)OCC2CCOC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
PRKCA P17252 3/20 0.39
PRKCD Q05655 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL13625641 0.80 PRKCA (0.42) PRKCAPRKCDDRD2DRD4
SCHEMBL14899908 0.78 FOLH1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3431890 0.71 AOC3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18280143 0.70 CHRNB2 (0.49) HDAC3HDAC1HDAC2DRD2DRD4
SCHEMBL20369182 0.70 JMJD6 (0.47) DRD2DRD4
SCHEMBL3431892 0.70 HDAC3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19628365 0.70 TP53 (0.45) DRD2DRD4
SCHEMBL4569725 0.69 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2197487 0.69 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6914624 0.69 AOC3 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed