SCHEMBL13624944

SCHEMBL13624944

NC(O)CCCCCCCCCCCCCCCCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.41
TRPV1 Q8NER1 3/20 0.38
FAAH O00519 2/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
S1PR2 O95136 4/20 0.31
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
S1PR4 O95977 3/20 0.31

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
SCHEMBL873186 0.90
SCHEMBL30132350 0.80 TSHR (0.46) TSHRHIF1ATRPV1FAAHALDH1A1
SCHEMBL10085844 0.80 TSHR (0.46) TSHRHIF1ATRPV1FAAHALDH1A1
SCHEMBL16600525 0.80 TSHR (0.46) TSHRHIF1ATRPV1FAAHTRPA1
SCHEMBL8487319 0.80 TSHR (0.46) TSHRHIF1ATRPV1FAAH
SCHEMBL690898 0.80 TSHR (0.46) TSHRHIF1ATRPV1FAAH
SCHEMBL1271400 0.79
SCHEMBL16306519 0.79
SCHEMBL10798330 0.79 TRPV1 (0.50) TRPV1TRPA1ALDH1A1MAPTCYP3A4
SCHEMBL25850087 0.77 ADH1B (0.46) TRPV1TRPA1

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