SCHEMBL9714281

SCHEMBL9714281

CS(=O)(=O)OCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.58
PLA2G2A P14555 1/20 0.53
PPARA Q07869 1/20 0.49
PGR P06401 1/20 0.49
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1B Q00975 1/20 0.46
KCNA3 P22001 1/20 0.45

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
SCHEMBL7976554 0.93 KCNA3 (0.52) LTA4HPKMMEN1HTTKMT2A
SCHEMBL3939161 0.88 PKM (0.47) PKMMEN1HTTKMT2AMAPT
SCHEMBL11544047 0.85 LTA4H (0.46) LTA4HPGRMEN1KMT2AMAPT
SCHEMBL4741970 0.84 KCNA3 (0.56) LTA4HPKMMEN1HTTKMT2A
SCHEMBL24041771 0.83 CA1 (0.53) LTA4HPPARAPKMMEN1HTT
SCHEMBL6230016 0.82 KCNA3 (0.59) LTA4HMEN1HTTKMT2AKCNA3
SCHEMBL10391332 0.81 KCNA3 (0.48) LTA4HPKMMEN1HTTKMT2A
SCHEMBL8671305 0.81 LTA4H (0.75) LTA4HPLA2G2APPARAPKMKCNA3
SCHEMBL13530003 0.81 GAA (0.62) LTA4HPPARAPKMHTTMAPT
SCHEMBL6277239 0.80 L3MBTL1 (0.49) PKMMEN1HTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP claimed