SCHEMBL9667010

SCHEMBL9667010

O=[C]C(Cc1cccc2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MME P08473 2/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
MTNR1A P48039 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 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
SCHEMBL6442862 0.80 MMP9 (0.44) CTNNB1CTSSCTSKMTNR1AMMP9
SCHEMBL6444647 0.80 CTSS (0.43) CTNNB1TDP1CTSSCTSKMME
SCHEMBL9667020 0.80 CTNNB1 (0.49) CTNNB1TDP1HRH4MEN1KMT2A
SCHEMBL9665194 0.79 CTSS (0.47) CTNNB1TDP1CTSSCTSKHRH4
SCHEMBL6444688 0.79 CTSS (0.47) CTNNB1TDP1CTSSCTSKHRH4
SCHEMBL6451533 0.78 TGM2 (0.44) CTNNB1HRH4MMEACECPA1
SCHEMBL6446006 0.77 CTNNB1 (0.51) CTNNB1TDP1HRH4MEN1KMT2A
SCHEMBL6447054 0.77 MME (0.46) CTNNB1TDP1CTSSCTSKHRH4
SCHEMBL10390131 0.77 ATM (0.48) CTNNB1TDP1CTSSCTSKHRH4
SCHEMBL6447935 0.74 CTNNB1 (0.48) CTNNB1TDP1CTSSCTSKMEN1

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 5 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 claimed
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