SCHEMBL9665993

SCHEMBL9665993

CCNC(=O)OC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CTNNB1 P35222 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10390067 1.00 MME (0.48) MMEACECPA1ACE2CTNNB1
SCHEMBL10390068 1.00 MME (0.48) MMEACECPA1ACE2CTNNB1
SCHEMBL10389679 0.87 MME (0.46) MMEACECPA1ACE2CTNNB1
SCHEMBL10389678 0.87 MME (0.46) MMEACECPA1ACE2CTNNB1
SCHEMBL10390076 0.83 CTNNB1 (0.52) MMEACECPA1ACE2CTNNB1
SCHEMBL9666889 0.83 CTNNB1 (0.52) MMEACECPA1ACE2CTNNB1
SCHEMBL9666892 0.83 CTNNB1 (0.52) MMEACECPA1ACE2CTNNB1
SCHEMBL6445179 0.83 ATM (0.46) MMEACECPA1ACE2CTNNB1
SCHEMBL6443448 0.81 CTSS (0.46) MMEACECPA1ACE2CTNNB1
SCHEMBL6443453 0.81 ATM (0.44) MMEACECPA1ACE2CTNNB1

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