SCHEMBL9541748

SCHEMBL9541748

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
POLB P06746 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
PDE5A O76074 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 2/20 0.32
MEP1B Q16820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
ELAVL1 Q15717 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL4461425 0.98 CA12 (0.34) CA12CA2CA9RAPGEF4POLB
SCHEMBL9541772 0.94 CA12 (0.36) CA12CA2CA9RAPGEF4POLB
SCHEMBL9544567 0.91 RAPGEF4 (0.37) RAPGEF4POLBL3MBTL1GAAMEP1B
SCHEMBL419551 0.86 NR3C1 (0.33) CA12CA2CA9RAPGEF4POLB
SCHEMBL419521 0.86 NR3C1 (0.33) CA12CA2CA9RAPGEF4POLB
SCHEMBL8971717 0.83 CA12 (0.42) CA12CA2CA9RAPGEF4POLB
SCHEMBL8470868 0.83 PDE5A (0.44) CA12CA2CA9RAPGEF4POLB
SCHEMBL10771314 0.83 CA12 (0.42) CA12CA2CA9RAPGEF4POLB
SCHEMBL30667042 0.82 NR3C1 (0.36) RAPGEF4POLBL3MBTL1GAAMEP1B
SCHEMBL30666808 0.82 NR3C1 (0.36) RAPGEF4POLBL3MBTL1GAAMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP claimed
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