SCHEMBL28459705

SCHEMBL28459705

Cc1nc2cccc(OCCCCNC(=O)c3ccccc3O)c2c(N)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NLRP1 Q9C000 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL28459769 0.97 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10NAAAKDM4E
SCHEMBL28455329 0.90 HCRTR1 (0.43) ALDH1A1HPGDHSD17B10NAAAKDM4E
SCHEMBL28451370 0.88 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10NAAAKDM4E
SCHEMBL28457357 0.85 MCHR1 (0.43) KDM4EMEN1KMT2APOLBHDAC3
SCHEMBL28451847 0.85 HPGD (0.46) ALDH1A1HPGDMEN1KMT2AHDAC3
SCHEMBL28460985 0.85 HPGD (0.46) ALDH1A1HPGDMEN1KMT2AHDAC3
SCHEMBL28450962 0.85 MCHR1 (0.47) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL28073755 0.84 MCHR1 (0.35) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL28460807 0.83 SMN1; SMN2 (0.46) ALDH1A1KDM4EMEN1KMT2AHDAC3
SCHEMBL28451432 0.82 HPGD (0.49) ALDH1A1HPGDHSD17B10KDM4EMEN1

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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