SCHEMBL29035992

SCHEMBL29035992

O=C(CCCCCCCNC(=O)c1ccccc1O)ON1CCSCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.52
▸ NAMPT P43490 1/20 0.51
▸ ALOX5 P09917 3/20 0.47
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NLRP1 Q9C000 1/20 0.46
▸ ACHE P22303 2/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL29036085 0.87 NAAA (0.52) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL29036045 0.85 CDK1 (0.53) NAAAKDM4EMEN1KMT2A
SCHEMBL29036067 0.82 HDAC1 (0.53) NAMPTNPC1HDAC7
SCHEMBL15127579 0.78 NAAA (0.69) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL25794246 0.77 NAAA (0.63) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL29036061 0.77 NAAA (0.51) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL823552 0.76 NAAA (0.84) NAAANAMPTALOX5HTTALDH1A1
Salcaprozic Acid SCHEMBL29036090 0.75 NAAA (0.54) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL14271965 0.75 NAAA (0.68) NAAANAMPTALOX5HTTALDH1A1
SCHEMBL6383063 0.74 NAAA (0.70) NAAANAMPTALOX5HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444392-A Polypeptide protein medicine oral absorption promoter and preparation method and application thereof 中国药科大学 2023-07-18 — — CN claimed
CN-116444392-A Polypeptide protein medicine oral absorption promoter and preparation method and application thereof 中国药科大学 2023-07-18 — — CN disclosed
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