SCHEMBL8943502

SCHEMBL8943502

O=C1CC(CCBr)(CCBr)CO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
SCHEMBL8630434 0.82 GABRP (0.38) PRKCAGABRPGABRDGABRA1GABRB1
SCHEMBL10183503 0.69 PRKCA (0.39) PRKCAGABRPGABRDGABRA1GABRB1
SCHEMBL15260457 0.64
SCHEMBL2526683 0.63 EPHX1 (0.33)
SCHEMBL10948542 0.62 NR1I2 (0.30)
SCHEMBL1484517 0.59
SCHEMBL7073445 0.59
SCHEMBL7262533 0.58
SCHEMBL7736395 0.58
SCHEMBL732557 0.58 NR1I2 (0.31)

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
US-5486622-A Process and intermediate products for the production of 5-oxaspiro [2.4]heptan-6-one LONZA LTD. (CH) 1996-01-23 US claimed
CN-103936703-A Preparation method of 5-oxaspiro[2,4]heptane-6-one and intermediate thereof SHANGHAI PUYI CHEMICAL CO LTD 2014-07-23 CN disclosed