SCHEMBL3100418

SCHEMBL3100418

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
FPR2 P25090 5/20 0.34
TSHR P16473 1/20 0.34
PLAU P00749 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL3098098 0.89 FPR2 (0.43) PPARDFPR2TSHRPLAUCA12
SCHEMBL3103505 0.87 PPARD (0.40) PPARDFPR2TSHRPLAUCA12
SCHEMBL3091598 0.86 PLAU (0.34) PPARDFPR2TSHRPLAU
SCHEMBL3106298 0.86 FPR2 (0.34) PPARDFPR2TSHRPLAU
SCHEMBL3091741 0.86 PPARD (0.43) PPARDFPR2TSHRCA12CA1
SCHEMBL3099101 0.85 GGH (0.40) PPARDFPR2TSHRPLAUCA12
SCHEMBL3099111 0.85 CYP1A2 (0.33) PPARDFPR2TSHRPLAUCA12
SCHEMBL3095596 0.84 CPB2 (0.36) PPARDFPR2TSHRCA12CA1
SCHEMBL3087428 0.84 CA12 (0.37) PPARDFPR2TSHRPLAUCA12
SCHEMBL3097947 0.83 TSHR (0.35) PPARDFPR2TSHRPLAUCA12

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