SCHEMBL16358573

SCHEMBL16358573

CCCCCCCCCC1=NC2(CCN([S@@+]([O-])CCc3ccc(C(=O)O)cc3C)CC2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.37
PTH1R Q03431 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM5A P29375 2/20 0.30
KDM5B Q9UGL1 2/20 0.30
KDM4C Q9H3R0 1/20 0.30
RXRA P19793 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
SCHEMBL16358739 0.89 PTH1R (0.33) RARBPTH1R
SCHEMBL850087 0.82 PTH1R (0.49) RARBPTH1R
SCHEMBL16358745 0.80 RARB (0.32) RARB
SCHEMBL879883 0.80 RARB (0.32) RARB
SCHEMBL17215267 0.77 PTH1R (0.47) PTH1R
SCHEMBL16358587 0.77 PTH1R (0.47) PTH1R
SCHEMBL16104848 0.77 PTH1R (0.47) PTH1R
SCHEMBL847997 0.73 PTH1R (0.49) PTH1RKMT2A
SCHEMBL848743 0.73 PTH1R (0.49) PTH1RALDH1A1
SCHEMBL851046 0.72 PTH1R (0.49) RARBPTH1R

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-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed