SCHEMBL259403

SCHEMBL259403

CCCCC(N)CCC=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
SLC15A1 P46059 1/20 0.37

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
SCHEMBL9563660 0.91 TSHR (0.54) TSHRALDH1A1FAAHTRPV1S1PR2
SCHEMBL27505445 0.86
SCHEMBL19816443 0.83 TSHR (0.67) TSHRALDH1A1FAAHTRPV1S1PR2
SCHEMBL12898291 0.83 HIF1A (0.39) TSHRALDH1A1
SCHEMBL14528093 0.82 TSHR (0.50) TSHRALDH1A1FAAHTRPV1S1PR2
Hydrochloric Acid SCHEMBL8971362 0.80 TSHR (0.48) TSHRALDH1A1FAAHTRPV1S1PR2
SCHEMBL272998 0.80 OPRM1 (0.50) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL1781742 0.79 TSHR (0.52) TSHRALDH1A1FAAHTRPV1SMN1; SMN2
SCHEMBL6049902 0.79
SCHEMBL22498715 0.79 HIF1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322441-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CODON DEVICES, INC. 2015-11-12 US disclosed
US-9062314-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2015-06-23 US disclosed
US-20140206069-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2014-07-24 US disclosed
US-8778642-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2014-07-15 US disclosed
US-20120258504-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2012-10-11 US disclosed
US-20120164702-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2012-06-28 US disclosed
US-8192976-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-06-05 US disclosed
US-8133704-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-03-13 US disclosed
EP-2366026-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM ALPHA KETOACIDS Celexion, Llc (US) 2011-09-21 EP disclosed
US-20110171696-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC (US) 2011-07-14 US disclosed
US-20100151536-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC 2010-06-17 US disclosed
WO-2010068944-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2010-06-17 WO disclosed