SCHEMBL3663595

SCHEMBL3663595

O=C(O)C(CCc1ccccc1)N(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
GRIK1 P39086 1/20 0.45
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.44
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ERAP2 Q6P179 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MME P08473 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3665485 0.86 MAPT (0.50) GRIK1SMN1; SMN2
SCHEMBL3666338 0.86 MAPT (0.50) GRIK1SMN1; SMN2
SCHEMBL23064152 0.81 TSHR (0.49) GRIK1CNR2TSHRMEN1KMT2A
SCHEMBL23064151 0.81 TSHR (0.49) GRIK1CNR2TSHRMEN1KMT2A
SCHEMBL1573822 0.81 CYP1A2 (0.55) PPARGPPARA
SCHEMBL296747 0.81 CYP1A2 (0.55) PPARGPPARA
SCHEMBL3724926 0.81 CYP1A2 (0.55) PPARGPPARA
SCHEMBL8590724 0.80 MEN1 (0.46) PPARGPPARAGRIK1CNR2TSHR
SCHEMBL10482476 0.79 AOC3 (0.47) GRIK1CNR2TSHRANPEPERAP1
SCHEMBL8948347 0.77 TDP1 (0.44) PPARGPPARAGRIK1CNR2TSHR

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