SCHEMBL3664559

SCHEMBL3664559

CCCCCCC(C(=O)O)c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
CSNK1E P49674 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
CNR2 P34972 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL28419027 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL28419011 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL3664377 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL28416201 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL16586532 0.98 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL372364 0.94 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLBCYSLTR2
SCHEMBL1162115 0.87 PPARG (0.39) ALDH1A1HSD17B10KDM4EPOLBPPARG
SCHEMBL19951679 0.87 PPARG (0.39) ALDH1A1HSD17B10KDM4EPOLBPPARG
Methane SCHEMBL28344019 0.86 PPARG (0.38) ALDH1A1HSD17B10KDM4EPOLBPPARG
SCHEMBL8896685 0.85 CYSLTR2 (0.44) ALDH1A1CYSLTR2CYSLTR1CSNK1EGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749373-B Rubber additive and preparation and application thereof 同济大学 2020-06-26 CN disclosed
CN-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed
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
CN-101970682-A Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2011-02-09 CN 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