SCHEMBL3665485

SCHEMBL3665485

O=C(O)C(CCCCCCCc1ccccc1)N(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TRPA1 O75762 1/20 0.50
GRIK1 P39086 1/20 0.48
LTB4R Q15722 3/20 0.47
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 2/20 0.45
ALOX5 P09917 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL3666338 1.00 MAPT (0.50) MAPTRXFP1TRPA1GRIK1LTB4R
SCHEMBL3663595 0.86 PPARG (0.46) GRIK1SMN1; SMN2
SCHEMBL841611 0.81 ALOX5 (0.50) MAPTRXFP1TRPA1GRIK1LTB4R
SCHEMBL8663794 0.80 TRPA1 (0.59) MAPTRXFP1TRPA1GRIK1S1PR2
SCHEMBL8669194 0.80 TRPA1 (0.59) MAPTRXFP1TRPA1GRIK1S1PR2
SCHEMBL8667618 0.80 TRPA1 (0.59) MAPTRXFP1TRPA1GRIK1S1PR2
SCHEMBL864212 0.80 TRPA1 (0.59) MAPTRXFP1TRPA1GRIK1S1PR2
SCHEMBL5155795 0.80 TRPA1 (0.59) MAPTRXFP1TRPA1GRIK1S1PR2
SCHEMBL11288235 0.79 MAPT (0.60) MAPTRXFP1TRPA1GRIK1LTB4R
SCHEMBL7102236 0.79 MAPT (0.60) MAPTRXFP1TRPA1GRIK1LTB4R

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