SCHEMBL28029010

SCHEMBL28029010

N[C@@](S)(CP(=O)(O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM4 Q14833 1/20 0.33
GLUL P15104 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL491169 0.69 MEN1 (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL2510162 0.68
SCHEMBL11474902 0.68 GRM4 (0.42) MEN1LMNAHPGDTSHRBLM
SCHEMBL1757439 0.68 GRM4 (0.42) MEN1LMNAHPGDTSHRBLM
SCHEMBL4760959 0.67
SCHEMBL6159037 0.67
SCHEMBL11746955 0.66 FDPS (0.43) LMNABLMGRM4ALDH1A1
SCHEMBL11090141 0.65
SCHEMBL10905037 0.65 TSHR (0.38) MEN1LMNAHPGDTSHRBLM
Oxalic Acid SCHEMBL1375165 0.64 FDPS (0.35) MEN1LMNAHPGDTSHRBLM

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-104812891-A Cell culture medium MERCK PATENT GMBH 2015-07-29 CN disclosed