SCHEMBL5220072

SCHEMBL5220072

CCOC(=O)c1cc(NC(=O)CCCCl)c2[nH]cc(CC)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ EGFR P00533 1/20 0.36
▸ ERBB3 P21860 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL5739672 0.94 MTNR1A (0.38) ALDH1A1KDM4ETP53GAAKMT2A
SCHEMBL5217389 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EEGFRERBB3TP53
SCHEMBL5305638 0.88 KDM4E (0.40) ALDH1A1KDM4EEGFRERBB3TP53
SCHEMBL5739741 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL5221333 0.81 HPGD (0.36) ALDH1A1KDM4ETP53GAAKMT2A
SCHEMBL5218597 0.81 HPGD (0.36) ALDH1A1KDM4ETP53GAAKMT2A
SCHEMBL27648335 0.77 HPGD (0.47) ALDH1A1KDM4ETP53GAAKMT2A
SCHEMBL5720772 0.75 RAB9A (0.48) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL5740009 0.73 JAK3 (0.40) ALDH1A1KDM4ETP53GAAKMT2A
SCHEMBL5217343 0.73 CA12 (0.44) ALDH1A1KDM4ETP53GAAKMT2A

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 — — EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 — — CN disclosed
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