SCHEMBL8924929

SCHEMBL8924929

CCCN(CC)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
OPRK1 P41145 1/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM5A P29375 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL22313796 0.96 MEN1 (0.36) MEN1KMT2ATSHRL3MBTL1CA12
SCHEMBL5463679 0.91 TSHR (0.42) MEN1KMT2ATSHRCA12CA9
SCHEMBL10171308 0.86 TSHR (0.46) MEN1KMT2ATSHRL3MBTL1CA12
SCHEMBL707591 0.86 TSHR (0.46) MEN1KMT2ATSHRL3MBTL1CA12
Acetic Acid SCHEMBL28209979 0.85 GAA (0.39) MEN1KMT2ATSHRCA12CA9
SCHEMBL21263699 0.83 TDP1 (0.50) MEN1KMT2ATSHRCA12CA9
SCHEMBL25983030 0.83 CA12 (0.41) MEN1KMT2ATSHRCA12CA9
SCHEMBL22313962 0.82 DNM1 (0.40) MEN1KMT2ATSHRCA12CA9
SCHEMBL21159200 0.82 MEN1 (0.44) MEN1KMT2ATSHRL3MBTL1CA12
SCHEMBL21652491 0.82 TSHR (0.52) MEN1KMT2ATSHRL3MBTL1CA2

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed