SCHEMBL3096008

SCHEMBL3096008

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.35
METAP1 P53582 2/20 0.35
FPR2 P25090 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARD Q03181 1/20 0.31
TSHR P16473 1/20 0.31
PLAU P00749 1/20 0.31
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
SCHEMBL3087428 0.87 CA12 (0.37) METAP2METAP1FPR2ALDH1A1PPARD
SCHEMBL3087332 0.87 METAP2 (0.33) METAP2METAP1FPR2ALDH1A1CYP3A4
SCHEMBL3098098 0.84 FPR2 (0.43) METAP1FPR2PPARDTSHRPLAU
SCHEMBL3100418 0.82 PPARD (0.42) FPR2PPARDTSHRPLAUCA12
SCHEMBL3090768 0.82 METAP2 (0.33) METAP2METAP1TSHRCA12CA9
SCHEMBL3090764 0.82 METAP2 (0.33) METAP2METAP1TSHRCA12CA9
SCHEMBL3106298 0.81 FPR2 (0.34) FPR2KMT2APPARDTSHRPLAU
SCHEMBL3091598 0.81 PLAU (0.34) FPR2PPARDTSHRPLAU
SCHEMBL3097947 0.81 TSHR (0.35) FPR2PPARDTSHRPLAUCA12
SCHEMBL3099101 0.80 GGH (0.40) FPR2PPARDTSHRPLAUCA12

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