SCHEMBL28972742

SCHEMBL28972742

COC(CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29045642 0.81 CA12 (0.34) MEN1KMT2AGAACYP2D6AAK1
SCHEMBL17586721 0.80 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28746301 0.80 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28276395 0.79 FOLH1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL2124740 0.78 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL3580142 0.78 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL2124734 0.78 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL764174 0.77 CYP1A2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9625892 0.77 TET2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17726829 0.77 TET2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677491-A Preparation process of ethyl 4- (ethoxycarbonyl) methoxybutyrate 武汉市振邦生物科技有限公司 2023-02-03 CN claimed
CN-115677491-A Preparation process of ethyl 4- (ethoxycarbonyl) methoxybutyrate 武汉市振邦生物科技有限公司 2023-02-03 CN disclosed