SCHEMBL5325941

SCHEMBL5325941

NC(=O)CC(=O)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.57
CES1 P23141 3/20 0.57
ACKR3 P25106 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
SNCA P37840 1/20 0.42
DGAT1 O75907 1/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL4707612 0.83 CES2 (0.59) CES2CES1ACKR3L3MBTL1GAA
SCHEMBL31529633 0.81 CES2 (0.61) CES2CES1ACKR3L3MBTL1GAA
SCHEMBL19104747 0.81 CES2 (0.61) CES2CES1ACKR3L3MBTL1GAA
SCHEMBL108531 0.81 CES2 (0.61) CES2CES1L3MBTL1GAASNCA
Hydrochloric Acid SCHEMBL30444188 0.79 CES2 (0.59) CES2CES1ACKR3L3MBTL1GAA
Hydrochloric Acid SCHEMBL19817282 0.79 CES2 (0.59) CES2CES1ACKR3L3MBTL1GAA
SCHEMBL25208513 0.79 CES2 (0.53) CES2CES1ACKR3L3MBTL1GAA
SCHEMBL1924321 0.79 PLOD2 (0.59) CES2CES1ACKR3L3MBTL1SNCA
SCHEMBL8584 0.79 CES2 (0.63) CES2CES1ACKR3L3MBTL1SNCA
SCHEMBL293958 0.78 CES2 (0.68) CES2CES1L3MBTL1GAADGAT1

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-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed