Sugi Predict

Sugi Predict / Compounds / SCHEMBL5586211

SCHEMBL5586211

SCHEMBL5586211

CCCCCCCC(N)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.44
▸ SMPD1 P17405 4/20 0.41
▸ FDPS P14324 2/20 0.41
▸ CES2 O00748 2/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR3 Q9UBY5 1/20 0.41
▸ FAAH O00519 4/20 0.39
▸ CES1 P23141 4/20 0.37

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
SCHEMBL5586242 1.00 EPHX1 (0.44) EPHX1SMPD1FDPSCES2LPAR1
SCHEMBL14369527 0.84 EPHX1 (0.44) EPHX1SMPD1FDPSCES2LPAR1
SCHEMBL13295493 0.84 EPHX1 (0.44) EPHX1SMPD1FDPSCES2LPAR1
SCHEMBL5586191 0.83 FDPS (0.33) EPHX1FDPS
SCHEMBL7553793 0.77 SMPD1 (0.45) SMPD1FDPSFAAH
SCHEMBL7160482 0.77 SMPD1 (0.45) SMPD1FDPSFAAH
Trifluoromethanesulfonic Acid SCHEMBL13278582 0.74 EPHX1 (0.47) EPHX1SMPD1FDPSCES2LPAR1
Trifluoromethanesulfonic Acid SCHEMBL597291 0.74 EPHX1 (0.47) EPHX1SMPD1FDPSCES2LPAR1
SCHEMBL5573620 0.74 FDPS (0.43) SMPD1FDPS
SCHEMBL7641261 0.74 CES2 (0.47) EPHX1CES2LPAR1LPAR3FAAH

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
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 — — WO disclosed