SCHEMBL9854213

SCHEMBL9854213

CCCOC(=O)CC(CC)OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 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
SCHEMBL3693783 0.92 NAAA (0.38) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL9856902 0.91 NAAA (0.44) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL9743211 0.89 NAAA (0.47) NAAADGKAALDH1A1MAPTMAPK1
SCHEMBL9620490 0.85 NAAA (0.46) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL9745575 0.83 NAAA (0.53) NAAADGKAMAPTMAPK1NPSR1
SCHEMBL9744401 0.82 NAAA (0.52) NAAADGKAALDH1A1MAPTMAPK1
SCHEMBL11090336 0.81 NAAA (0.39) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL9742799 0.81 PRKCA (0.41) NAAADGKAALDH1A1MAPTLMNA
SCHEMBL9743191 0.81 NAAA (0.41) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL9743328 0.79 ALDH1A1 (0.41) DGKAALDH1A1MAPTMAPK1NPSR1

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-0269042-B1 PROCESS FOR PREPARING 2 PROPENYLIDENE-3 ETHYL GLUTARIC ACID DIESTERS BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed