SCHEMBL28501013

SCHEMBL28501013

O=C1CCC(C(=O)O)C1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
GABRR1 P24046 1/20 0.41
PDK1 Q15118 1/20 0.40
PARP1 P09874 1/20 0.37
PARP15 Q460N3 1/20 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
SCHEMBL1666449 0.98
SCHEMBL29883233 0.98
SCHEMBL51838 0.98
SCHEMBL3295484 0.98
SCHEMBL15043867 0.84 THRB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3934728 0.84 THRB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL535720 0.84 THRB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6126 0.82 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29174145 0.82 POLB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28490005 0.79

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
CN-111971842-A Electrolyte for electricity storage device and nonaqueous electrolyte 富山药品工业株式会社 2020-11-20 CN disclosed