SCHEMBL20179087

SCHEMBL20179087

CC(C)C[C@H](NP(=O)(O)O[C@H]1C[C@H](O)[C@@H](O)[C@H](C)O1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.78
ACE P12821 3/20 0.78
MME P08473 1/20 0.78
LMNA P02545 1/20 0.59
ERAP2 Q6P179 3/20 0.49
ERAP1 Q9NZ08 2/20 0.48
ANPEP P15144 1/20 0.48
IL1RN P18510 1/20 0.47

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
Phosphoramidon SCHEMBL4436662 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL117398 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL8029985 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL8189183 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL14503212 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL40933 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL9100804 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL7155564 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL7300320 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2
Phosphoramidon SCHEMBL17813729 0.87 ECE1 (1.00) ECE1ACEMMELMNAERAP2

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
WO-2018092724-A1 MOLECULAR KINETICS EVALUATION METHOD AND SCREENING METHOD 学校法人東京理科大学 2018-05-24 WO disclosed