SCHEMBL28451370

SCHEMBL28451370

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ HCRTR1 O43613 2/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
SCHEMBL28455329 0.97 HCRTR1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28459769 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28459705 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28457387 0.86 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2AGABRP
SCHEMBL28455521 0.86 HPGD (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28457133 0.86 HPGD (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28457013 0.86 TSHR (0.43) ALDH1A1KDM4EMEN1KMT2ANAAA
SCHEMBL28460462 0.85 MCHR1 (0.46) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL28451331 0.85 HPGD (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28449479 0.85 HPGD (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A

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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