SCHEMBL29233259

SCHEMBL29233259

NCCC(O)CCC(O)CCC(O)CCC(O)CCCC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ LPAR1 Q92633 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SLC15A1 P46059 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL4681277 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL23975173 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNACDC25B
SCHEMBL27461581 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNACDC25B
SCHEMBL22033505 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL1240675 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL12990296 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNACDC25B
SCHEMBL22273544 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNACDC25B
SCHEMBL29000561 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL29000560 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL4920576 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAKMT2A

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-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 — — CN disclosed
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