SCHEMBL27286162

SCHEMBL27286162

C=CCC(/C=C\C(=O)O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 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
SCHEMBL15641178 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15641180 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1886676 0.87 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1886678 0.87 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4829243 0.83 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4829236 0.83 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15641156 0.82 ACHE (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15641157 0.82 ACHE (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3373737 0.78 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3373730 0.78 GABRP (0.33) 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-2024134671-A1 PREPARATION OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE BHISAJ PHARMACEUTICALS PVT LTD (IN) 2024-06-27 WO disclosed