SCHEMBL9665237

SCHEMBL9665237

CC(=O)OC([C]=O)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TACR1 P25103 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
ATM Q13315 1/20 0.42
MMP9 P14780 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6444721 0.87 CTNNB1 (0.44) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL9665981 0.85 CTNNB1 (0.45) CTNNB1TDP1L3MBTL1TACR1ATM
SCHEMBL6443448 0.84 CTSS (0.46) CTNNB1TDP1L3MBTL1TACR1ATM
SCHEMBL7279499 0.82 CTNNB1 (0.45) CTNNB1TDP1L3MBTL1TACR1ATM
SCHEMBL29253169 0.81 CTNNB1 (0.51) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL9666889 0.78 CTNNB1 (0.52) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL9666892 0.78 CTNNB1 (0.52) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL10390076 0.78 CTNNB1 (0.52) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL6622742 0.77 CTNNB1 (0.48) CTNNB1TDP1L3MBTL1TACR1SIRT5
SCHEMBL6447126 0.76 CTSS (0.41) CTNNB1TDP1L3MBTL1TACR1MMP9

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