SCHEMBL8380604

SCHEMBL8380604

CCC(C)(N)c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
MEP1B Q16820 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MYC P01106 1/20 0.33

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
SCHEMBL20599448 0.83 RAPGEF4 (0.37) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL11808764 0.82 RAPGEF4 (0.36) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL8140524 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL776652 0.76 FFAR4 (0.40) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL16975313 0.76 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL775800 0.76 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL777012 0.75 MEN1 (0.34) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL10648574 0.74 KMT2A (0.36) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL9782674 0.74 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL7496171 0.74 ALDH1A1 (0.34) MEN1KMT2AALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805142-B1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM NV (NL) 1999-03-24 EP disclosed
EP-0805142-A1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM N.V. (NL) 1997-11-05 EP disclosed