SCHEMBL6905774

SCHEMBL6905774

CCCCCCCCCc1cc(O)cc(=O)o1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.52
ELANE P08246 3/20 0.51
PTGS2 P35354 3/20 0.50
GPR84 Q9NQS5 8/20 0.49
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6911145 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6910732 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6916585 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6911155 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6912180 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6914193 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6913197 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6912499 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6907126 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2
SCHEMBL6910991 1.00 MAPT (0.56) MAPTSMN1; SMN2ALOX15ELANEPTGS2

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
WO-2004018552-A1 USE OF COMPOSITIONS CONTAINING 4-HYDROXY-2-PYRONES FOR STABILISING ORGANIC PLASTICS CONTAINING HALOGEN REAGENS DEUTSCHLAND GMBH (DE) 2004-03-04 WO disclosed
EP-0365539-A4 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS 1990-12-05 EP disclosed
EP-0365539-A1 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-02 EP disclosed
WO-1988010258-A1 HUMAN LEUCOCYTE ELASTASE INHIBITOR COMPOUNDS LA TROBE UNIVERSITY (AU) 1988-12-29 WO disclosed