SCHEMBL3665611

SCHEMBL3665611

CCCC(Br)CCC(CC(=O)O)n1cc(O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
CDC25A P30304 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
OXER1 Q8TDS5 2/20 0.34
CMA1 P23946 2/20 0.33
CTSG P08311 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3666197 0.93 KDM4E (0.38) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL16862701 0.92 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862626 0.92 CDC25A (0.40) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL3657865 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL284847 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL4212531 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL3660150 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMT2ACDC25A
SCHEMBL16862682 0.84 CDC25A (0.44) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL16862611 0.84 CDC25A (0.44) ALDH1A1KDM4EHSD17B10CDC25AOXER1
SCHEMBL3665524 0.84 KDM4E (0.39) ALDH1A1KDM4EHSD17B10KMT2AMAPT

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