SCHEMBL28449452

SCHEMBL28449452

CCOC(=O)c1c(C)nc2cccc(OCC(CC)NC(=O)c3cccc(O)c3)c2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.35

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
SCHEMBL31670312 1.00 TAS1R3 (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL28451357 0.94 GABRP (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL31670272 0.94 GABRP (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL621416 0.92 TAS1R3 (0.37) TAS1R3TAS1R1KDM4ERAB9AMEN1
SCHEMBL620609 0.92 TAS1R3 (0.37) TAS1R3TAS1R1KDM4ERAB9AMEN1
SCHEMBL31670286 0.91 GABRP (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL31670288 0.91 GABRP (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL28451374 0.91 GABRP (0.38) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL28453875 0.89 GABRP (0.37) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL28453876 0.89 GABRP (0.37) TAS1R3TAS1R1GABRPGABRDGABRA1

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-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 — — CN disclosed
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