SCHEMBL3087428

SCHEMBL3087428

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PPID Q08752 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
FPR2 P25090 2/20 0.33
TSHR P16473 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CNR2 P34972 1/20 0.32
PPARD Q03181 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
PLAU P00749 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
SCHEMBL3096008 0.87 METAP2 (0.35) CA12CA9METAP2METAP1FPR2
SCHEMBL3101487 0.87 ALDH1A1 (0.40) CA12CA9L3MBTL1FPR2CA2
SCHEMBL3098098 0.85 FPR2 (0.43) CA12CA9METAP1FPR2TSHR
SCHEMBL3100418 0.84 PPARD (0.42) CA12CA9FPR2TSHRCA2
SCHEMBL3091598 0.82 PLAU (0.34) FPR2TSHRPPARDPLAU
SCHEMBL3106298 0.82 FPR2 (0.34) FPR2TSHRPPARDALOX15PLAU
SCHEMBL3099111 0.81 CYP1A2 (0.33) CA12CA9FPR2TSHRCA2
SCHEMBL3099101 0.81 GGH (0.40) CA12CA9FPR2TSHRCA1
SCHEMBL3106026 0.80 CA12 (0.38) CA12CA9L3MBTL1TSHRCA2
SCHEMBL3103505 0.80 PPARD (0.40) CA12CA9FPR2TSHRCA2

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