SCHEMBL25984029

SCHEMBL25984029

CC(=O)[C@H](N)CCCCNC(=O)C1CCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
EPHX1 P07099 1/20 0.42
CHRM1 P11229 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
NAMPT P43490 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 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
SCHEMBL25984019 1.00 NAAA (0.59) NAAAKEAP1NFE2L2ITGB3ITGA2B
SCHEMBL20704798 0.85 NAAA (0.54) NAAAKEAP1NFE2L2ITGB3ITGA2B
SCHEMBL15548470 0.85 NAAA (0.54) NAAAKEAP1NFE2L2ITGB3ITGA2B
SCHEMBL25356994 0.82 NAAA (0.54) NAAAKEAP1NFE2L2ITGB3ITGA2B
SCHEMBL25356997 0.82 NAAA (0.54) NAAAKEAP1NFE2L2ITGB3ITGA2B
SCHEMBL10174280 0.81 NAAA (0.66) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL17172545 0.79 NAAA (0.82) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL16615729 0.78 GSR (0.47) NAAAITGB3ITGA2BGNAI3GNAO1
SCHEMBL14030620 0.78 CHRNB2 (0.61) NAAAITGB3ITGA2BGNAI3GNAO1
SCHEMBL12085496 0.78 CHRNB2 (0.61) NAAAITGB3ITGA2BGNAI3GNAO1

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
WO-2023153847-A1 PEPTIDE LIGAND TARGETING CARBONIC ANHYDRASE IX, PEPTIDE CONSTRUCT COMPRISING SAME, AND USES THEREOF (주)씨바이오멕스 2023-08-17 WO disclosed