SCHEMBL9318973

SCHEMBL9318973

O=C1O/C=C(/C(=O)O)CCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL484079 0.74
SCHEMBL7901698 0.70 TSHR (0.33) OATGABRPGABRDGABRA1TSHR
SCHEMBL6123254 0.68 OAT (0.38) OATGABRPGABRDGABRA1TSHR
Sulfuric Acid SCHEMBL1923285 0.68 OAT (0.35) OAT
SCHEMBL17888777 0.67 OAT (0.37) OATGABRPGABRDGABRA1TSHR
SCHEMBL18106862 0.67 HTT (0.30) GABRR1
Bicarbonate SCHEMBL27777950 0.65 CA1 (0.43) TSHRSMN1; SMN2LMNACA1CA9
Bicarbonate SCHEMBL2528676 0.65 SMN1; SMN2 (0.38) TSHRSMN1; SMN2LMNACA1CA9
SCHEMBL2220877 0.65
Terephthalic Acid SCHEMBL28976280 0.64 TSHR (0.52) TSHRSMN1; SMN2CA1CA9

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
JP-6223842-A None JP disclosed
JP-H06223842-A HIGHPOLYMER SOLID ELECTROLYTE SONY CORP 1994-08-12 JP disclosed