SCHEMBL8948445

SCHEMBL8948445

CCOc1c(S(C)(=O)=O)ccc(C(=O)c2c(O)cc[nH]c2=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8770689 0.78 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL8465883 0.74 IKBKB (0.39) ALDH1A1KDM4EHPGDMEN1HTT
SCHEMBL8464103 0.73 IKBKB (0.37) ALDH1A1MEN1HTTKMT2AMCOLN3
SCHEMBL8770613 0.72 IKBKB (0.37) ALDH1A1HTTMAPTHSD17B10
SCHEMBL8948356 0.72 NPSR1 (0.32) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8461473 0.69 HCRTR1 (0.31)
SCHEMBL3867685 0.67 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL8770747 0.67 L3MBTL1 (0.41) MAPT
SCHEMBL8465758 0.67 KMT2A (0.34) ALDH1A1MEN1HTTKMT2AMCOLN3
SCHEMBL8770790 0.67 MEN1 (0.30) ALDH1A1MEN1HTTKMT2AMCOLN3

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
US-5565413-A Substituted pyridyl phenyl ketone herbicides ZENECA LIMITED (GB) 1996-10-15 US disclosed