SCHEMBL8853008

SCHEMBL8853008

C=CCOC(=O)CC(=O)C1CC2C=CC1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 5/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5068281 0.82 ALDH1A1 (0.45) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL8852547 0.81 KDM4E (0.47) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL8852740 0.79 KDM4E (0.51) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL14581091 0.78 KDM4E (0.62) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL32688527 0.77 KDM4E (0.50) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL27618262 0.77 TDP1 (0.35) KDM4ELMNAALDH1A1POLBTDP1
SCHEMBL11589334 0.73 KDM4E (0.56) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL32689204 0.72 KDM4E (0.55) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL32688342 0.71 KDM4E (0.46) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL32688638 0.71 ALDH1A1 (0.43) KDM4ELMNAALDH1A1KMT2ARAB9A

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
US-5659070-A Preparation of alkyl 5-oxo-6-heptenoates, and novel intermediate for the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1997-08-19 US claimed
US-5659070-A Preparation of alkyl 5-oxo-6-heptenoates, and novel intermediate for the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
US-5659070-A Preparation of alkyl 5-oxo-6-heptenoates, and novel intermediate for the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0725055-A1 Process for the preparation of 5-oxo-6-heptenoic acid alkyl esters as well as intermediates for their preparation BASF Aktiengesellschaft (DE) 1996-08-07 EP disclosed