SCHEMBL16302525

SCHEMBL16302525

Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CC(F)(F)[S+]([O-])N1CCC2(CC1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
ALPL P05186 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL16302533 0.84 RXFP1 (0.32) HPGDKMT2AMEN1ALDH1A1RXFP1
SCHEMBL16358756 0.82 LMNA (0.31) HPGDKMT2AALDH1A1RXFP1
SCHEMBL849970 0.81 PTH1R (0.34) KMT2AMEN1MAPTALDH1A1
SCHEMBL851546 0.75 PTH1R (0.45) ALDH1A1
SCHEMBL851419 0.75 POLB (0.33) KMT2AMEN1MAPTALDH1A1
SCHEMBL13064722 0.74 SMN1; SMN2 (0.36) KMT2AMAPT
SCHEMBL850355 0.71 POLB (0.33) MAPT
SCHEMBL851027 0.70 MAPK1 (0.34) KMT2AMAPTALDH1A1
SCHEMBL851028 0.70 MAPK1 (0.34) KMT2AMAPTALDH1A1
SCHEMBL16358336 0.69 PTH1R (0.32)

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-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed