SCHEMBL3103370

SCHEMBL3103370

CCOP(=O)(CN[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O)OCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
NOS2 P35228 3/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC10A2 Q12908 1/20 0.31
PPARD Q03181 1/20 0.30
KIF11 P52732 1/20 0.30
PLAU P00749 1/20 0.30
P2RY10 O00398 3/20 0.30
GPR174 Q9BXC1 3/20 0.30
GPR34 Q9UPC5 2/20 0.30
FOLH1 Q04609 1/20 0.30
TSHR P16473 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
SCHEMBL3103364 1.00 FPR2 (0.32) FPR2NOS2NOS1NOS3ALDH1A1
SCHEMBL3090739 0.83 NOS2 (0.37) NOS2NOS1NOS3FOLH1
SCHEMBL3090743 0.83 NOS2 (0.37) NOS2NOS1NOS3FOLH1
SCHEMBL2990974 0.80 GLUL (0.37)
SCHEMBL2990982 0.80 GLUL (0.37)
SCHEMBL2990989 0.80 GLUL (0.37)
SCHEMBL25455637 0.78 NOS2 (0.39) NOS2NOS1NOS3SLC10A2KIF11
SCHEMBL16950254 0.78 NOS2 (0.39) NOS2NOS1NOS3SLC10A2KIF11
Hydrochloric Acid SCHEMBL9639751 0.76 NOS2 (0.38) NOS2NOS1NOS3ALDH1A1SLC10A2
SCHEMBL3094248 0.76 PPARD (0.41) FPR2PPARDTSHR

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed