SCHEMBL5286793

SCHEMBL5286793

CCCCC(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
SMPD1 P17405 3/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
FAAH O00519 4/20 0.30
CES1 P23141 2/20 0.30
CES2 O00748 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
SCHEMBL5275588 0.92 EPHX1 (0.46) EPHX1SMPD1MAPTTP53FAAH
SCHEMBL17651980 0.82 EPHX1 (0.33) EPHX1CA2CA1
SCHEMBL27525293 0.81 EPHX1 (0.34) EPHX1CA2CA1MAPK1
SCHEMBL28037185 0.81 EPHX1 (0.34) EPHX1CA2CA1MAPK1
SCHEMBL14778630 0.78 EPHX1 (0.33) EPHX1CA2CA1TP53CES1
SCHEMBL2326465 0.78 CA2 (0.40) EPHX1CA2CA1MAPK1MAPT
SCHEMBL8911416 0.78 CA2 (0.40) EPHX1CA2CA1MAPK1MAPT
SCHEMBL10359016 0.77 TP53 (0.40) EPHX1MAPTTP53FAAHCES1
SCHEMBL3641633 0.76 EPHX1 (0.41) EPHX1MAPTTP53FAAHCES1
SCHEMBL27098797 0.76 EPHX1 (0.37) EPHX1MAPTTP53FAAHCES1

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-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 EP disclosed
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 WO disclosed