SCHEMBL28754154

SCHEMBL28754154

N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
OTC P00480 1/20 0.50
NOS2 P35228 7/20 0.49
NOS1 P29475 5/20 0.49
NOS3 P29474 4/20 0.49
DDAH1 O94760 3/20 0.47
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 2/20 0.45
ALOX15 P16050 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 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
SCHEMBL880728 1.00 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL43287 1.00 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL10071054 1.00 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL27615800 1.00 GSR (0.52) GSROTCNOS2NOS1NOS3
Arginine SCHEMBL5152371 0.98 OTC (0.53) GSROTCNOS2NOS1NOS3
SCHEMBL4221548 0.98 GSR (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL4225929 0.98 GSR (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL4225043 0.98 GSR (0.50) GSROTCNOS2NOS1NOS3
Hydrochloric Acid SCHEMBL21045047 0.98 GSR (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL4405593 0.98 GSR (0.50) GSROTCNOS2NOS1NOS3

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
CN-100365014-C Tumor targeting agents and uses thereof KARYON OY (FI) 2008-01-30 CN disclosed
CN-101027316-A Tumor targeting agent and application thereof KARYON OY (FI) 2007-08-29 CN disclosed
CN-1720259-A Tumor targeting agents and uses thereof KARYON OY (FI) 2006-01-11 CN disclosed