SCHEMBL28848701

SCHEMBL28848701

O=C(O)C1CCC[CH]CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
PMP22 Q01453 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
SLC6A1 P30531 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL5229468 0.95 TSHR (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL28294126 0.88 TSHR (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3227707 0.85
SCHEMBL28247056 0.84 TSHR (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL231070 0.83
Hydrochloric Acid SCHEMBL27553676 0.83 SLC6A1 (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL27553698 0.83 SLC6A1 (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL8927012 0.81 SLC6A1 (0.38) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27776077 0.81 TSHR (0.46) TSHRGABRPGABRDGABRA1GABRB1
Benzene SCHEMBL9232305 0.80 TSHR (0.50) TSHRGABRPGABRDGABRA1GABRB1

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-105070947-B Electrolyte and the lithium ion battery including the electrolyte 宁德新能源科技有限公司 2017-07-14 CN disclosed