SCHEMBL8664180

SCHEMBL8664180

CCc1c(OCc2ccccc2)c(=O)ccn1CCOC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAOB P27338 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GLRA1 P23415 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRM2 Q14416 1/20 0.37

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
SCHEMBL8662233 0.86 HTT (0.47) HTTSMN1; SMN2MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8662249 0.85 HTT (0.46) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL9700018 0.83 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8663227 0.83 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30887389 0.82 HTT (0.58) HTTSMN1; SMN2MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8662185 0.82 HTT (0.54) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL9475974 0.81 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL9476339 0.81 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30580527 0.80 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL17128942 0.80 SMN1; SMN2 (0.55) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619808-B1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS CHELATING AGENTS BTG INT LTD (GB) 1998-11-25 — — EP disclosed
US-5480894-A 3-hydroxypyridin-4-one derivatives as chelating agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-01-02 — — US disclosed
EP-0619808-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS CHELATING AGENTS BTG INTERNATIONAL LIMITED (GB) 1994-10-19 — — EP disclosed
WO-1994004498-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS CHELATING AGENTS BRITISH TECHNOLOGY GROUP LTD. (GB) 1994-03-03 — — WO disclosed
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