SCHEMBL3091671

SCHEMBL3091671

NC(=O)NCCCC(C(N)=O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.41
C3AR1 Q16581 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

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
SCHEMBL3091675 1.00 OTC (0.41) OTCC3AR1CA12CA1CA2
SCHEMBL3103112 0.95 OTC (0.37) OTCCA12CA1CA2CA9
SCHEMBL2985623 0.89 OTC (0.43) OTCC3AR1CA12CA1CA2
SCHEMBL2985627 0.89 OTC (0.43) OTCC3AR1CA12CA1CA2
SCHEMBL3109250 0.88 OTC (0.39) OTCCA12CA1CA2CA9
SCHEMBL3109225 0.88 OTC (0.39) OTCCA12CA1CA2CA9
SCHEMBL3087403 0.86 OTC (0.40) OTCCA12CA1CA2CA9
SCHEMBL2979471 0.85 OTC (0.39) OTCC3AR1CA12CA1CA2
SCHEMBL3086310 0.84 OTC (0.35) OTCCA12CA1CA2CA9
SCHEMBL3090812 0.80 LMNA (0.38)

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