SCHEMBL8665739

SCHEMBL8665739

Cc1c(OCc2ccccc2)c(=O)ccn1CCOC(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ NPC1 O15118 1/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.56
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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 0.87 HTT (0.47) HTTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8662249 0.86 HTT (0.46) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3354717 0.82 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3358414 0.82 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8106191 0.81 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3357703 0.81 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20382948 0.80 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669320 0.80 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3358984 0.80 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9515266 0.79 HTT (0.67) 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 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
Send feedback