SCHEMBL9715136

SCHEMBL9715136

CCC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CC(C)C)C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.69
ECE1 P42892 11/20 0.62
MME P08473 10/20 0.62
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL9715281 0.91 ACE2 (0.62) ACE2ECE1MME
SCHEMBL9697199 0.90 ACE2 (0.70) ACE2ECE1MME
SCHEMBL9698581 0.87 ACE2 (0.58) ACE2ECE1MME
SCHEMBL9715090 0.85 MMP8 (0.64) ACE2ECE1MME
SCHEMBL6929734 0.85 ACE2 (0.73) ACE2ECE1MMEHSD17B10
SCHEMBL9715088 0.85 ECE1 (0.60) ACE2ECE1MME
SCHEMBL7283423 0.85 ACE2 (0.60) ACE2ECE1MMEHSD17B10
SCHEMBL6924717 0.84 ACE2 (0.84) ACE2ECE1MME
SCHEMBL6928745 0.83 ECE1 (0.77) ACE2ECE1MME
SCHEMBL9697698 0.82 ECE1 (0.55) ACE2ECE1MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5143908-A Carboxylic acids containing amino and phosphinyl groups MERCK & CO., INC. (US) 1992-09-01 US disclosed
US-4715994-A PHOSPHINIC ACID DERIVATIVES MERCK & CO., INC. (US) 1987-12-29 US disclosed