SCHEMBL6408878

SCHEMBL6408878

CCCN([C]=O)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL1247311 0.82
SCHEMBL9195368 0.81 ALDH1A1 (0.37) CA12CA2CA9TSHRHSD17B10
SCHEMBL11836162 0.81 MCL1 (0.31) CA12CA2CA9
SCHEMBL1401104 0.75
SCHEMBL9235428 0.74
SCHEMBL6109959 0.72 ALDH1A1 (0.36) CA12CA2CA9KMT2A
SCHEMBL5571553 0.72 CA12 (0.34) CA12CA2CA9CA1
SCHEMBL3486565 0.72 ALOX5 (0.44) MEN1KMT2A
SCHEMBL1401026 0.72
SCHEMBL304728 0.72 CA12 (0.48) CA12CA2CA9TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
CN-1089947-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-07-27 CN disclosed