SCHEMBL28457015

SCHEMBL28457015

CCOC(=O)c1c(C)nc2cccc(OCC(C)NC(=O)c3ccncc3)c2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ HPGD P15428 3/20 0.39

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
SCHEMBL31670267 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGABRPGABRD
SCHEMBL31670303 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGABRPGABRD
SCHEMBL619123 0.90 ACACB (0.37) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL621131 0.90 ACACB (0.37) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL620994 0.90 ACACB (0.37) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL28451374 0.89 GABRP (0.38) ALDH1A1KDM4EMAPTGABRPGABRD
SCHEMBL31670288 0.89 GABRP (0.38) ALDH1A1KDM4EMAPTGABRPGABRD
SCHEMBL31670286 0.89 GABRP (0.38) ALDH1A1KDM4EMAPTGABRPGABRD
SCHEMBL31670294 0.84 RAB9A (0.45) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL27102660 0.84 RAB9A (0.40) ALDH1A1HPGDTP53RAB9AHSD17B10

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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