SCHEMBL9658447

SCHEMBL9658447

Cc1cc(CCl)oc(=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH2 P05091 4/20 0.33
ALDH1A2 O94788 3/20 0.33
ALDH1B1 P30837 3/20 0.33
ALDH1A3 P47895 3/20 0.33
TYMP P19971 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B3 P37058 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL20419311 0.73
SCHEMBL9430870 0.71 ALDH2 (0.36) ALDH1A1MAPK1KDM4EKMT2AALDH2
SCHEMBL8507929 0.70 NQO1 (0.48) ALDH1A1MAPK1KDM4EKMT2AALDH2
SCHEMBL11851936 0.70 TYMP (0.46) ALDH1A1KDM4ERAB9AKMT2ATYMP
SCHEMBL16670954 0.69 PON1 (0.31) PON1MAPK1KDM4ERAB9AKMT2A
SCHEMBL1143449 0.68 APEX1 (0.54) PON1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL6573655 0.67 NQO1 (0.38) SMN1; SMN2NQO1
SCHEMBL1932837 0.64 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4ERAB9ASMN1; SMN2
SCHEMBL11859358 0.64 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4EALDH2ALDH1A2
SCHEMBL20414040 0.64 ALDH1A1 (0.33) PON1ALDH1A1MAPK1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241918-B1 1-HYDROXY-2-PYRIDINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM, AS WELL AS INTERMEDIATES FORMED BY THE PREPARATION OF 1-HYDROXY-2-PYRIDINONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4797409-A FUNGICIDES, YEAST INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0241918-A2 1-Hydroxy-2-pyridinones, process for their preparation and medicines containing them, as well as intermediates formed by the preparation of 1-hydroxy-2-pyridinones HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-21 EP disclosed