SCHEMBL8898871

SCHEMBL8898871

O=C1CCCC(C2CCCC(=O)CC2=O)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MT-CO2 P00403 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8898855 0.84 KDM4E (0.35) TRIM24TRIM33ALDH1A1KDM4EGAA
SCHEMBL1627415 0.77 CA1 (0.32) CA1CA2CA4KMT2A
SCHEMBL10719777 0.77 MT-CO2 (0.46) ALDH1A1MT-CO2ALOX5KDM4ECA1
SCHEMBL6535460 0.77 MT-CO2 (0.46) ALDH1A1MT-CO2ALOX5KDM4ECA1
SCHEMBL12444789 0.77 CA1 (0.38) ALDH1A1MT-CO2ALOX5KDM4ECA1
SCHEMBL4374227 0.77 MT-CO2 (0.46) ALDH1A1MT-CO2ALOX5KDM4ECA1
SCHEMBL10386756 0.77 TRIM24 (0.32) TRIM24TRIM33ALDH1A1ESR2
SCHEMBL26100579 0.75 CA1 (0.56) TRIM24TRIM33ALDH1A1KDM4EGAA
SCHEMBL26828335 0.73 MAPT (0.37) ALDH1A1KDM4EGAACA1CA2
SCHEMBL2982970 0.72 CA1 (0.52) TRIM24TRIM33MT-CO2ALOX5KDM4E

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
JP-9221444-A None JP disclosed
JP-9221445-A None JP disclosed
JP-H09221444-A STEREOSELECTIVE PRODUCTION OF CIS-SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE NIPPON SODA CO LTD 1997-08-26 JP disclosed
JP-H09221445-A STEREOSELECTIVE PRODUCTION OF TRANS-SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE NIPPON SODA CO LTD 1997-08-26 JP disclosed