SCHEMBL20184174

SCHEMBL20184174

CCCCCOC(=O)CC(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAD52 P43351 1/20 0.47
FAAH O00519 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL20398329 0.98 NAAA (0.58) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL20398337 0.98 NAAA (0.58) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL20398340 0.98 NAAA (0.58) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL18291942 0.94 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL15491411 0.87 NAAA (0.57) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL12526880 0.87 NAAA (0.57) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL4548423 0.86 HCAR2 (0.39) NAAAACE2DGKAHCAR2ALDH1A1
SCHEMBL12524471 0.85 NAAA (0.60) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL12527404 0.85 NAAA (0.60) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL14587119 0.85 NAAA (0.60) NAAANPSR1MAPTMAPK1L3MBTL1

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-3325103-A1 PROCESS FOR PONGAMOL ENRICHMENT OF KARANJA OIL Biosynthis (FR) 2018-05-30 EP disclosed