SCHEMBL6672722

SCHEMBL6672722

CC1(C)COCC(=O)OCC(C)(C)COCC(=O)OC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6668560 1.00 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11443083 0.77 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7113337 0.77 LMNA (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL360166 0.73 CA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL45972 0.72
SCHEMBL9265626 0.71 CA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11536217 0.71 CA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1013574 0.71
SCHEMBL17603299 0.71 TP53 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
Ethylene SCHEMBL29492957 0.70 CA1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795573-B1 Absorbable copolymers and blends of 6,6-dialkyl-1,4-dioxepan-2-one and its cyclic dimer ETHICON INC (US) 2004-09-29 EP disclosed
US-5703200-A Absorbable copolymers and blends of 6,6-dialkyl-1,4-dioxepan-2-one and its cyclic dimer ETHICON, INC. (US) 1997-12-30 US disclosed
EP-0795573-A2 Absorbable copolymers and blends of 6,6-dialkyl-1,4-dioxepan-2-one and its cyclic dimer ETHICON, INC. (US) 1997-09-17 EP disclosed