SCHEMBL8662233

SCHEMBL8662233

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PRKCA P17252 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ LMNA P02545 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
Hydrochloric Acid SCHEMBL8662249 0.99 HTT (0.46) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8665739 0.87 HTT (0.61) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8664180 0.86 HTT (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8662055 0.83 POLB (0.43) NPC1NPSR1POLBGAA
SCHEMBL9700018 0.82 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8663227 0.82 HTT (0.55) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30887389 0.81 HTT (0.58) HTTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8662185 0.81 HTT (0.54) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9475974 0.80 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9476339 0.80 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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-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
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