SCHEMBL3660150

SCHEMBL3660150

CCCCC(Br)CC(CC(=O)O)n1cc(O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CDC25A P30304 1/20 0.37
OXER1 Q8TDS5 3/20 0.36
CNR2 P34972 5/20 0.35
KMT2A Q03164 1/20 0.34
CMA1 P23946 1/20 0.34
CNR1 P21554 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL16862696 0.96 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862757 0.96 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL3657865 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862701 0.87 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862626 0.87 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL3665611 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL4212531 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862611 0.84 CDC25A (0.44) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862682 0.84 CDC25A (0.44) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL4261038 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235202-B1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX SA (FR) 2013-06-19 EP disclosed
US-8404460-B2 Method for detecting and/or identifying Clostridium difficile BIOMERIEUX (FR) 2013-03-26 US disclosed
US-20100279330-A1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX (FR) 2010-11-04 US disclosed
EP-2235202-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE Biomérieux (FR) 2010-10-06 EP disclosed
WO-2009092982-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE bioMérieux (FR) 2009-07-30 WO disclosed