SCHEMBL28485347

SCHEMBL28485347

CCCCCCCCCCCCCOC(=O)COCCOCCOCCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
THRB P10828 1/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 1/20 0.63
NAAA Q02083 1/20 0.56
CES2 O00748 2/20 0.50
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
FAAH O00519 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5658485 0.96 NAAA (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL16707347 0.96 NAAA (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9751838 0.96 NAAA (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL273115 0.93 TSHR (0.57) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1401441 0.93 TSHR (0.57) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7646589 0.93 NAAA (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8862798 0.93 NAAA (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8863141 0.93 NAAA (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7647299 0.93 NAAA (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7647979 0.93 NAAA (0.64) MEN1KMT2ATHRBHTTMAPT

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
CN-110479952-B Odor masking agent for furan resin sand for casting and preparation method thereof 宁夏共享化工有限公司 2020-11-10 CN disclosed