SCHEMBL28449479

SCHEMBL28449479

CCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3cccc(OC)c3OCCO)c2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36

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
SCHEMBL28451331 0.97 HPGD (0.46) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28455521 0.94 HPGD (0.47) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28457133 0.91 HPGD (0.47) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28451707 0.91 HPGD (0.48) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28898164 0.89 HPGD (0.44) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28451329 0.88 HPGD (0.48) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28451432 0.85 HPGD (0.49) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28451370 0.85 ALDH1A1 (0.44) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL28451347 0.84 SMPD1 (0.45) HPGDKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL28455329 0.83 HCRTR1 (0.43) HPGDKMT2AMEN1ALDH1A1TSHR

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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