SCHEMBL5055843

SCHEMBL5055843

O=C(CCl)COCCOCCOCCCCCCCCCCCS

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
PLA2G4B P0C869 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
FOLH1 Q04609 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
SCHEMBL823693 1.00 CES2 (0.36) CES2PLA2G4BMEN1THRBHTT
SCHEMBL825647 1.00 CES2 (0.36) CES2PLA2G4BMEN1THRBHTT
SCHEMBL823819 0.86 CES2 (0.34) CES2PLA2G4BFOLH1
SCHEMBL823708 0.81 CES2 (0.38) CES2MEN1THRBHTTKMT2A
SCHEMBL826533 0.81 CES2 (0.38) CES2MEN1THRBHTTKMT2A
SCHEMBL5139903 0.80 FAAH (0.40)
SCHEMBL15370149 0.79 FOLH1 (0.43) CES2PLA2G4BMEN1THRBHTT
SCHEMBL1468538 0.79 FOLH1 (0.43) CES2PLA2G4BMEN1THRBHTT
SCHEMBL12130360 0.79 FOLH1 (0.43) CES2PLA2G4BMEN1THRBHTT
SCHEMBL823865 0.77 LPAR3 (0.42) CES2MAPT

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
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP disclosed
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 EP disclosed