SCHEMBL9668155

SCHEMBL9668155

COC(CNC(=O)[C@@H](Cc1cccc2ccccc12)C(=O)O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.52
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP9 P14780 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.43
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL10389693 1.00 CTNNB1 (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL9668142 1.00 CTNNB1 (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL6447032 0.85 MMP9 (0.44) CTNNB1MMEACECPA1ACE2
SCHEMBL6444804 0.84 SMN1; SMN2 (0.48) CTNNB1MMEACECPA1ACE2
SCHEMBL6444647 0.83 CTSS (0.43) CTNNB1MMEACECPA1ACE2
SCHEMBL9665152 0.78 CTSS (0.56) CTNNB1MMEACECPA1ACE2
SCHEMBL7272663 0.78 CTNNB1 (0.75) CTNNB1MMEACECPA1ACE2
SCHEMBL9666969 0.78 CTNNB1 (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL9666962 0.78 CTNNB1 (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL10389715 0.78 CTNNB1 (0.52) CTNNB1MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed