SCHEMBL16006808

SCHEMBL16006808

NC(=O)CN(CCN(CC=O)CC(=O)O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
EYA2 O00167 1/20 0.54
APP P05067 1/20 0.54
ACE P12821 1/20 0.54
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL13611427 0.90 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL7740566 0.90 TDP1 (0.67) TDP1EYA2APPACEBLM
SCHEMBL5551303 0.88 TDP1 (0.68) TDP1EYA2APPACEBLM
SCHEMBL16349998 0.88 TDP1 (0.62) TDP1EYA2APPACEBLM
SCHEMBL12892856 0.86 TDP1 (0.59) TDP1EYA2APPACEBLM
SCHEMBL19726617 0.86 TDP1 (0.67) TDP1EYA2APPACEBLM
SCHEMBL5590784 0.86 TDP1 (0.64) TDP1EYA2APPACEBLM
SCHEMBL12392750 0.86 TDP1 (0.67) TDP1EYA2APPACEBLM
SCHEMBL20906342 0.85 TDP1 (0.74) TDP1EYA2APPACEBLM
SCHEMBL12798538 0.85 TDP1 (0.74) TDP1EYA2APPACEBLM

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
WO-2014134486-A2 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. (US) 2014-09-04 WO disclosed