SCHEMBL3462952

SCHEMBL3462952

CC1(CCS(=O)(=O)O)COC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
APP P05067 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
SCHEMBL22467727 0.85 KCNA4 (0.31) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL4135328 0.77 EPHX1 (0.48) EPHX1
SCHEMBL14400004 0.74 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL3463378 0.74 EPHX1 (0.31) EPHX1
SCHEMBL23292800 0.69 EPHX1 (0.39) EPHX1
SCHEMBL23292822 0.69 EPHX1 (0.39) EPHX1
SCHEMBL3463380 0.69 EPHX2 (0.35)
SCHEMBL3462969 0.68 APP (0.34) EPHX1APP
SCHEMBL30343632 0.68
SCHEMBL14879789 0.67 EPHX1 (0.46) EPHX1

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
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 claimed
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