SCHEMBL3105822

SCHEMBL3105822

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.37
GGT1 P19440 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
FPR2 P25090 3/20 0.33
CPB2 Q96IY4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR2 O60603 2/20 0.33
PPARD Q03181 1/20 0.33
TSHR P16473 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GSR P00390 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL3098952 0.96 FOLH1 (0.42) FOLH1GGT1SLC6A5CPB2TLR2
SCHEMBL3105775 0.89 FPR2 (0.37) FOLH1FPR2CPB2MEN1CYP1A2
SCHEMBL3099111 0.88 CYP1A2 (0.33) FPR2CPB2MEN1CYP1A2KMT2A
SCHEMBL3091681 0.85 FPR2 (0.36) FOLH1SLC6A5FPR2CPB2TLR2
SCHEMBL3098722 0.84 FPR2 (0.43) FOLH1FPR2PPARDTSHRCA12
SCHEMBL3095596 0.84 CPB2 (0.36) FOLH1SLC6A5FPR2CPB2MEN1
SCHEMBL3097853 0.83 C3AR1 (0.43) FOLH1FPR2MEN1KMT2ANOD1
SCHEMBL3091741 0.83 PPARD (0.43) FPR2PPARDTSHRCA12CA1
SCHEMBL3087487 0.83 FPR2 (0.32) GGT1FPR2PPARDTSHR
SCHEMBL3091646 0.82 CA12 (0.40) FOLH1FPR2TLR2NOD1CA12

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