SCHEMBL29036085

SCHEMBL29036085

O=C(CCCCCCCNC(=O)c1ccccc1O)ON1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.52
▸ NAMPT P43490 1/20 0.51
▸ ALOX5 P09917 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NLRP1 Q9C000 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ BCL3 P20749 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL29035992 0.87 NAAA (0.52) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL29036058 0.85 CDK1 (0.53) NAAAALDH1A1HTT
SCHEMBL13385672 0.80 POLB (0.61) NAAANAMPTALDH1A1HPGDTSHR
SCHEMBL15127579 0.78 NAAA (0.69) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL25794246 0.77 NAAA (0.63) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL29036061 0.77 NAAA (0.51) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL823552 0.76 NAAA (0.84) NAAANAMPTALOX5NPC1ALDH1A1
Salcaprozic Acid SCHEMBL29036079 0.75 NAAA (0.54) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL14271965 0.75 NAAA (0.68) NAAANAMPTALOX5NPC1ALDH1A1
SCHEMBL31298077 0.74 KMT2A (0.67) ALDH1A1HPGDBCL3

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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