SCHEMBL162867

SCHEMBL162867

CCCCCCCCC=CCCCCCCCCNCCCC(N)CCN

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.44
PPARA Q07869 2/20 0.44
RRM1 P23921 1/20 0.42
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
DPP7 Q9UHL4 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
SCHEMBL10972547 1.00 SLC6A5 (0.44) SLC6A5PPARARRM1FAAHTRPV1
SCHEMBL11830992 0.90 ALDH1A1 (0.50) RRM1ALDH1A1TSHRDPP7
SCHEMBL6429352 0.90 ALDH1A1 (0.50) RRM1ALDH1A1TSHRDPP7
SCHEMBL16389936 0.89 SLC6A5 (0.47) SLC6A5PPARAFAAHTRPV1ALDH1A1
SCHEMBL165367 0.87 S1PR2 (0.49) SLC6A5FAAHTRPV1
SCHEMBL4176129 0.87 S1PR2 (0.49) SLC6A5FAAHTRPV1
SCHEMBL165369 0.87 S1PR2 (0.49) SLC6A5FAAHTRPV1
SCHEMBL7929385 0.87 S1PR2 (0.49) SLC6A5FAAHTRPV1
Propane SCHEMBL9292282 0.85 S1PR2 (0.47) SLC6A5FAAHTRPV1
SCHEMBL27702573 0.84 PPARA (0.46) PPARAFAAHTRPV1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291333-A1 PROCESS FOR REDUCING BULKING SLUDGE IN ACTIVATED SLUDGE WASTEWATER TREATMENT Akzo Nobel N.V. (NL) 2011-03-09 EP claimed
EP-2291333-A1 PROCESS FOR REDUCING BULKING SLUDGE IN ACTIVATED SLUDGE WASTEWATER TREATMENT Akzo Nobel N.V. (NL) 2011-03-09 EP disclosed
WO-2011000895-A1 POLYMERIC CORROSION INHIBITORS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-01-06 WO disclosed