SCHEMBL28639713

SCHEMBL28639713

CC(CCO)C(C)(CO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
DPP4 P27487 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL8571219 0.79 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15592487 0.78 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28644628 0.77 DPP4 (0.38) DPP4
SCHEMBL28094878 0.76 ALDH1A1 (0.35) TSHRALDH1A1ACACBACACACYP2D6
SCHEMBL28647150 0.75 DPP4 (0.37) DPP4TSHR
SCHEMBL27803891 0.73 TSHR (0.36) TSHRALDH1A1ACACBACACACYP2D6
Pivalate SCHEMBL12076234 0.71 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Pivalate SCHEMBL28604198 0.71 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1716224 0.71 CHRM1 (0.39) TSHRALDH1A1
SCHEMBL274264 0.70 DPP4 (0.38) DPP4ALDH1A1

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-113594465-A Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2021-11-02 CN disclosed