SCHEMBL3087403

SCHEMBL3087403

NC(=O)NCCC[C@@H](C(N)=O)N(O)CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.40
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL27764620 0.90 OTC (0.42) OTCCA12CA1CA2CA9
SCHEMBL2992137 0.90 OTC (0.42) OTCCA12CA1CA2CA9
SCHEMBL3108101 0.88 OTC (0.38) OTC
SCHEMBL3108086 0.88 OTC (0.38) OTC
SCHEMBL3091671 0.86 OTC (0.41) OTCCA12CA1CA2CA9
SCHEMBL3091675 0.86 OTC (0.41) OTCCA12CA1CA2CA9
SCHEMBL3090820 0.84 OTC (0.35) OTCCA12CA1CA2CA9
SCHEMBL3103112 0.82 OTC (0.37) OTCCA12CA1CA2CA9
SCHEMBL3108100 0.81 CA12 (0.37) OTCCA12CA1CA2CA9
SCHEMBL3094189 0.81 LMNA (0.36)

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