SCHEMBL9068697

SCHEMBL9068697

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

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.72
LTA4H P09960 1/20 0.61
MMP2 P08253 1/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
ACE P12821 3/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
FOLH1 Q04609 1/20 0.55

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
SCHEMBL8256139 0.89 MME (0.58) MMELTA4HMMP2MMP7MMP9
SCHEMBL9555877 0.87 BIRC2 (0.67) MME
SCHEMBL9555884 0.87 BIRC2 (0.67) MME
SCHEMBL5097324 0.87 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL15223611 0.87 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL7352159 0.87 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL5654469 0.87 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL5654462 0.87 MME (0.74) MMELTA4HMMP2MMP7MMP9
SCHEMBL11119114 0.86 MME (0.69) MMEACECPA1ACE2
SCHEMBL11119113 0.86 MME (0.69) MMEACECPA1ACE2

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed