SCHEMBL3097208

SCHEMBL3097208

NC(=O)[C@@H](NCP(=O)(O)O)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.42
ACP3 P15309 4/20 0.42
SRC P12931 1/20 0.41
BCAT2 O15382 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LAP3 P28838 3/20 0.39
EPHX1 P07099 1/20 0.38
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL3097190 1.00 ANPEP (0.42) ANPEPACP3SRCBCAT2CA1
SCHEMBL2988567 0.88 CA1 (0.45) ANPEPACP3SRCCA1CA2
SCHEMBL2988564 0.88 CA1 (0.45) ANPEPACP3SRCCA1CA2
SCHEMBL3097326 0.81 MAPT (0.54)
SCHEMBL27873367 0.74 ADRA2C (0.53) BCAT2CA1CA2
SCHEMBL3102891 0.72 ANPEP (0.32) ANPEPLAP3
SCHEMBL3102882 0.72 ANPEP (0.32) ANPEPLAP3
SCHEMBL3098754 0.71 LAP3 (0.56) ANPEPACP3LAP3EPHX1MME
SCHEMBL3098759 0.71 LAP3 (0.56) ANPEPACP3LAP3EPHX1MME
SCHEMBL27702636 0.70 ANPEP (0.66) ANPEPACP3SRC

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