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SCHEMBL9568619

SCHEMBL9568619

NCCCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL15502146 0.86 MAPK1 (0.67) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL5864490 0.85 MAPK1 (0.70) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL853260 0.85 ALDH1A1 (0.66) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL3441076 0.85 ALDH1A1 (0.66) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL4604590 0.80 ALDH1A1 (0.68) MAPK1L3MBTL1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL4604330 0.79 ALDH1A1 (0.66) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL18475483 0.74 MAPK1 (0.56) MAPK1L3MBTL1MEN1KMT2ACYP2D6
SCHEMBL23752565 0.74 MEN1 (1.00) L3MBTL1MEN1KMT2ACYP2D6TDP1
SCHEMBL21067955 0.74 MEN1 (1.00) L3MBTL1MEN1KMT2ACYP2D6TDP1
SCHEMBL11150999 0.73 MAPK1 (0.60) MAPK1L3MBTL1MEN1KMT2ACYP2D6

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
EP-0534772-A2 Oxidising compositions WARWICK INTERNATIONAL GROUP LIMITED(Company No. 2754514) (GB) 1993-03-31 — — EP disclosed