SCHEMBL28985348

SCHEMBL28985348

CCCCCCOC(=O)COC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.54
EPHX2 P34913 1/20 0.48
NPSR1 Q6W5P4 2/20 0.45
RAD52 P43351 1/20 0.45
FAAH O00519 1/20 0.44
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CES2 O00748 1/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 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
SCHEMBL5604986 0.94 NAAA (0.49) NAAAEPHX2NPSR1DGKAMAPT
SCHEMBL5606107 0.87 NAAA (0.44) NAAAEPHX2L3MBTL1EPHX1
SCHEMBL5605614 0.84 NAAA (0.37) NAAAEPHX2L3MBTL1
SCHEMBL27436906 0.80 NAAA (0.50) NAAAEPHX2NPSR1RAD52FAAH
SCHEMBL3251414 0.80 KMT2A (0.50) NAAAL3MBTL1EPHX1
SCHEMBL19569796 0.80 KMT2A (0.50) NAAAL3MBTL1EPHX1
SCHEMBL3252087 0.80 KMT2A (0.50) NAAAL3MBTL1EPHX1
SCHEMBL3256401 0.80 KMT2A (0.50) NAAAL3MBTL1EPHX1
SCHEMBL415509 0.79 NAAA (0.82) NAAAEPHX2DGKAHTR2CPRSS1
SCHEMBL8714110 0.78 SMYD3 (0.40) NAAANPSR1RAD52FAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974691-A Synthesis method of cyclohexyloxyacetate 浙江新化化工股份有限公司 2023-04-18 CN claimed
CN-115974691-A Synthesis method of cyclohexyloxyacetate 浙江新化化工股份有限公司 2023-04-18 CN disclosed