SCHEMBL7352159

SCHEMBL7352159

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.74
LTA4H P09960 1/20 0.63
MMP2 P08253 1/20 0.59
MMP7 P09237 1/20 0.59
MMP9 P14780 1/20 0.59
MMP12 P39900 1/20 0.59
MMP13 P45452 1/20 0.59
ACE P12821 2/20 0.58
CPA1 P15085 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
MMP8 P22894 1/20 0.57
FOLH1 Q04609 1/20 0.56

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
SCHEMBL5097324 1.00 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL5654462 1.00 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL5654469 1.00 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL10878801 0.92 MME (0.67) MMELTA4HMMP2MMP7MMP9
SCHEMBL10877122 0.89 BIRC2 (0.67) MME
SCHEMBL10877116 0.89 BIRC2 (0.67) MME
SCHEMBL15223611 0.88 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL10878767 0.87 MME (0.62) MMELTA4H
SCHEMBL9068697 0.87 MME (0.72) MMELTA4HMMP2MMP7MMP9
SCHEMBL5869124 0.85 MME (1.00) MMELTA4HACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-4749688-A Use of neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-06-07 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed