SCHEMBL9544567

SCHEMBL9544567

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.37
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
ELAVL1 Q15717 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CRHR1 P34998 1/20 0.33
MPL P40238 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
SCHEMBL9541748 0.91 CA12 (0.35) RAPGEF4HSD17B10LMNAHPGDHIF1A
Ammonia Solution, Strong SCHEMBL4461425 0.89 CA12 (0.34) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL420243 0.88 NR3C1 (0.36) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL30667042 0.88 NR3C1 (0.36) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL419147 0.88 NR3C1 (0.36) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL30666808 0.88 NR3C1 (0.36) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL9541772 0.87 CA12 (0.36) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL143706 0.85 PDE5A (0.37) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL9615904 0.85 RORC (0.39) RAPGEF4HSD17B10LMNAHPGDHIF1A
SCHEMBL15311992 0.85 PDE5A (0.37) RAPGEF4HSD17B10LMNAHPGDHIF1A

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
WO-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 WO disclosed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 EP disclosed