SCHEMBL30819161

SCHEMBL30819161

C[C@H](NC(CCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
RIMKLA Q8IXN7 1/20 0.42
CYP1A2 P05177 1/20 0.42
GNPAT O15228 2/20 0.41
GGH Q92820 1/20 0.41
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38

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
SCHEMBL4998037 0.88 FOLH1 (0.55) FOLH1NAALAD2RIMKLACYP1A2GGH
SCHEMBL8254457 0.81 FOLH1 (0.45) FOLH1
SCHEMBL5869685 0.81 FOLH1 (0.45) FOLH1
SCHEMBL22458452 0.80 FOLH1 (0.61) FOLH1NAALAD2RIMKLA
SCHEMBL29741342 0.79 FOLH1 (0.51) FOLH1
SCHEMBL787393 0.79 FOLH1 (0.51) FOLH1
SCHEMBL1116199 0.79 FOLH1 (0.51) FOLH1
SCHEMBL3836127 0.78 CHRM1 (0.44) FOLH1NAALAD2
SCHEMBL3836129 0.78 CHRM1 (0.44) FOLH1NAALAD2
SCHEMBL5940872 0.78 CHRM1 (0.44) FOLH1NAALAD2

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-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed