SCHEMBL3097947

SCHEMBL3097947

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
ECE1 P42892 1/20 0.34
PLAU P00749 1/20 0.33
FPR2 P25090 6/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 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
SCHEMBL3097963 0.89 TSHR (0.34) TSHRPPARDPLAUFPR2CA12
SCHEMBL3109325 0.89 ECE1 (0.37) TSHRPPARDECE1PLAUFPR2
SCHEMBL3103505 0.85 PPARD (0.40) TSHRPPARDPLAUFPR2CA12
SCHEMBL3106298 0.84 FPR2 (0.34) TSHRPPARDPLAUFPR2
SCHEMBL3094150 0.84 PLAU (0.36) TSHRPPARDPLAUFPR2CA12
SCHEMBL3098098 0.84 FPR2 (0.43) TSHRPPARDPLAUFPR2CA12
SCHEMBL3100418 0.83 PPARD (0.42) TSHRPPARDPLAUFPR2CA12
SCHEMBL3103058 0.83 FPR2 (0.44) TSHRPPARDPLAUFPR2CA12
SCHEMBL3091598 0.81 PLAU (0.34) TSHRPPARDPLAUFPR2
SCHEMBL3096008 0.81 METAP2 (0.35) TSHRPPARDPLAUFPR2CA12

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