SCHEMBL13624929

SCHEMBL13624929

CNCCCCCCCCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
EPHX1 P07099 2/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HIF1A Q16665 1/20 0.45
ADH1B P00325 3/20 0.42
ADH1A P07327 3/20 0.42
ADH7 P40394 3/20 0.42
ADH1C P00326 2/20 0.42
ADH4 P08319 1/20 0.42
PAOX Q6QHF9 1/20 0.40
SIGMAR1 Q99720 2/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7380826 1.00
SCHEMBL7293332 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7292979 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7291233 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7282574 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7284997 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL3641708 0.97
SCHEMBL2191952 0.89
Acetic Acid SCHEMBL30784711 0.89 TSHR (0.43) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL18900753 0.83 FAAH (0.58) TSHREPHX1FAAHTRPV1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138511-A1 LONG-ACTING Y2 AND/OR Y4 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2009-11-19 WO disclosed