SCHEMBL3652203

SCHEMBL3652203

C=C(C)C(=O)NN(CCC)CCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
TGFBR1 P36897 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
SCHEMBL28825757 0.85 CA12 (0.37) TGFBR1
SCHEMBL633626 0.84 EPHX2 (0.33) EPHX2
SCHEMBL9116946 0.79 CA12 (0.42) TGFBR1
SCHEMBL28160378 0.78 TGFBR1 (0.30) TGFBR1
SCHEMBL28049819 0.78 TGFBR1 (0.32) TGFBR1
SCHEMBL692406 0.75 KDM4E (0.38) EPHX2
SCHEMBL8898184 0.75 EPHX2 (0.40) EPHX2
Dimethylamine SCHEMBL28454932 0.73 KDM4E (0.36) EPHX2
SCHEMBL28262484 0.71 EPHX2 (0.35) EPHX2
SCHEMBL15841141 0.71 KDM4E (0.36) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207852-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS Bausch & Lomb Incorporated (US) 2010-07-21 EP disclosed
WO-2009055226-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-30 WO disclosed
EP-1039968-A1 POLYBETAINE STABILIZED PLATINUM NANOPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND UTILIZATION FOR FUEL-CELL CATALYSTS Axiva GmbH (DE) 2000-10-04 EP disclosed
WO-1999029423-A1 POLYBETAINE STABILIZED PLATINUM NANOPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND UTILIZATION FOR FUEL-CELL CATALYSTS AXIVA GMBH (DE) 1999-06-17 WO disclosed