SCHEMBL28460985

SCHEMBL28460985

COc1c(OCCO)cccc1C(=O)NCCCCOc1cccc2nc(C)c(C(=O)O)c(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ NAMPT P43490 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL28451432 0.97 HPGD (0.49) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28451847 0.97 HPGD (0.46) HPGDNAMPTALDH1A1HDAC3HDAC1
SCHEMBL28460884 0.94 HPGD (0.49) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28451707 0.92 HPGD (0.48) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28455521 0.89 HPGD (0.47) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28451329 0.88 HPGD (0.48) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28898164 0.88 HPGD (0.44) HPGDNAMPTALDH1A1HDAC3HDAC1
SCHEMBL28459705 0.85 ALDH1A1 (0.43) HPGDALDH1A1HDAC3HDAC1KMT2A
SCHEMBL28457133 0.85 HPGD (0.47) HPGDNAMPTALDH1A1KMT2AMEN1
SCHEMBL28459769 0.83 ALDH1A1 (0.46) HPGDALDH1A1HDAC3HDAC1KMT2A

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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