SCHEMBL3090764

SCHEMBL3090764

CCSCCC(NCP(=O)(O)O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.33
METAP1 P53582 5/20 0.33
FDPS P14324 3/20 0.32
BHMT Q93088 1/20 0.32
TSHR P16473 1/20 0.30
CA12 O43570 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
SCHEMBL3090768 1.00 METAP2 (0.33) METAP2METAP1FDPSBHMTTSHR
SCHEMBL2989547 0.86 ECE1 (0.36) METAP2METAP1FDPSBHMTTSHR
SCHEMBL2989543 0.86 ECE1 (0.36) METAP2METAP1FDPSBHMTTSHR
SCHEMBL3106035 0.84 CA12 (0.38) TSHRCA12CA9
SCHEMBL3106026 0.84 CA12 (0.38) TSHRCA12CA9
SCHEMBL3096008 0.82 METAP2 (0.35) METAP2METAP1TSHRCA12CA9
SCHEMBL3098115 0.82 FDPS (0.42) METAP1FDPS
SCHEMBL3098107 0.82 FDPS (0.42) METAP1FDPS
SCHEMBL4341296 0.78 LAP3 (0.40) METAP1FDPSCA12CA9
SCHEMBL3098289 0.76 MME (0.32)

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