SCHEMBL13618146

SCHEMBL13618146

C=C/C=C\C=C/CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 4/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OXER1 Q8TDS5 1/20 0.33

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
SCHEMBL9136373 0.91
SCHEMBL17996661 0.91
SCHEMBL9136376 0.91
SCHEMBL30924778 0.80 LMNA (0.47) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL16938660 0.78 TSHR (0.40) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL27817000 0.78 OXER1 (0.45) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL27746821 0.78 TSHR (0.40) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL869080 0.77 TSHR (0.53) ALDH1A1LMNATSHRCYP4F2CYP4A11
SCHEMBL821076 0.77 TSHR (0.53) ALDH1A1LMNATSHRCYP4F2CYP4A11
SCHEMBL869082 0.77 TSHR (0.53) ALDH1A1LMNATSHRCYP4F2CYP4A11

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed