SCHEMBL3463380

SCHEMBL3463380

CCCCCCC1(CCS(=O)(=O)O)COC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
FAAH O00519 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CES1 P23141 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL3463378 0.86 EPHX1 (0.31)
SCHEMBL11727987 0.82 TSHR (0.40)
SCHEMBL3462969 0.77 APP (0.34)
SCHEMBL5606175 0.77 LMNA (0.52) SIRT2PRKCA
SCHEMBL3463358 0.75 GPR84 (0.48)
SCHEMBL1714681 0.74 EPHX1 (0.43) SIRT2PRKCA
SCHEMBL9839330 0.74 EPHX1 (0.43) SIRT2PRKCA
SCHEMBL9839214 0.74 EPHX1 (0.43) SIRT2PRKCA
SCHEMBL9839764 0.74 EPHX1 (0.43) SIRT2PRKCA
SCHEMBL7055433 0.74 EPHX1 (0.43) SIRT2PRKCA

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-20100256308-A1 PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-10-07 US disclosed