SCHEMBL2441533

SCHEMBL2441533

O=C(c1ccccc1)[S+]1CCCC1.O=C(c1ccccc1)[S+]1CCCC1.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.33
GPR3 P46089 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2436355 0.85 CES1 (0.37) CES1GPR3LMNA
SCHEMBL2437815 0.82 CES1 (0.35) CES1GPR3LMNA
SCHEMBL2435742 0.82 CES1 (0.35) CES1GPR3LMNA
SCHEMBL2434749 0.77 CES1 (0.31) CES1GPR3
SCHEMBL11926050 0.76 F2 (0.44) CES1LMNAMAPT
SCHEMBL2435275 0.76 CES1 (0.30) CES1
SCHEMBL2439082 0.76 LMNA (0.34) CES1LMNAMAPT
SCHEMBL2437510 0.75 LMNA (0.38) CES1LMNAMAPTNPSR1
SCHEMBL3829427 0.74
SCHEMBL2443803 0.71 PTPN1 (0.34) GPR3

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
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed