SCHEMBL28455329

SCHEMBL28455329

CCOC(=O)c1c(C)nc2cccc(OCCCCNC(=O)c3ccccc3O)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40

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
SCHEMBL28451370 0.97 ALDH1A1 (0.44) HCRTR1NAAAALDH1A1KDM4EHPGD
SCHEMBL28459705 0.90 ALDH1A1 (0.43) HCRTR1NAAAALDH1A1KDM4EHPGD
SCHEMBL28459769 0.88 ALDH1A1 (0.46) HCRTR1NAAAALDH1A1KDM4EHPGD
SCHEMBL28451356 0.86 MCHR1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28898164 0.86 HPGD (0.44) HCRTR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28449446 0.85 MCHR1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28457387 0.83 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2AGABRP
SCHEMBL28457133 0.83 HPGD (0.47) HCRTR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28457013 0.83 TSHR (0.43) NAAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL28460462 0.83 MCHR1 (0.46) KDM4EMEN1KMT2AGABRPGABRD

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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