SCHEMBL212404

SCHEMBL212404

CC(C)COC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
WDR5 P61964 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MMP13 P45452 1/20 0.33
KIT P10721 1/20 0.33
HRH1 P35367 1/20 0.32
SLC6A15 Q9H2J7 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDK4 Q16654 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CXCR2 P25025 1/20 0.32
SCN9A Q15858 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL22476355 0.83 LMNA (0.40) PTGDR2CHRM2CHRM1MMP13HRH1
SCHEMBL23123262 0.83 PKM (0.36) RORCMEN1KMT2APDK4CXCR2
SCHEMBL19413525 0.82 PDK4 (0.39) GPR119PDK4CXCR2
SCHEMBL2036756 0.82 GRM5 (0.31)
SCHEMBL26614881 0.82 NAMPT (0.36) RORCPDK4CXCR2
SCHEMBL212403 0.81 PDK4 (0.46) GPR119PDK4
SCHEMBL749417 0.81 GRM5 (0.49) RORCPTGDR2RAB9AMEN1HPGD
SCHEMBL2458379 0.80 QDPR (0.38) RORCMEN1KMT2ACXCR2
SCHEMBL308840 0.80 BACE1 (0.30) CXCR2
SCHEMBL27209284 0.79 KMT2A (0.34) WDR5KMT2ACXCR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401265-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
WO-2010099054-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
EP-2142512-A2 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-01-13 EP disclosed
WO-2008119825-A2 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed