SCHEMBL3094150

SCHEMBL3094150

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
FPR2 P25090 6/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3091598 0.88 PLAU (0.34) PLAUTSHRPPARDFPR2
SCHEMBL3103505 0.85 PPARD (0.40) PLAUTSHRPPARDFPR2CA12
SCHEMBL3108084 0.85 MAPT (0.42) PLAUTSHRPPARDFPR2CA12
SCHEMBL3098098 0.84 FPR2 (0.43) PLAUTSHRPPARDFPR2CA12
SCHEMBL3097947 0.84 TSHR (0.35) PLAUTSHRPPARDFPR2CA12
SCHEMBL3097963 0.83 TSHR (0.34) PLAUTSHRPPARDFPR2CA12
SCHEMBL3100418 0.83 PPARD (0.42) PLAUTSHRPPARDFPR2CA12
SCHEMBL3103058 0.83 FPR2 (0.44) PLAUTSHRPPARDFPR2CA12
SCHEMBL3106298 0.81 FPR2 (0.34) PLAUTSHRPPARDFPR2ALOX15
SCHEMBL3099101 0.80 GGH (0.40) PLAUTSHRPPARDFPR2CA12

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