SCHEMBL9854420

SCHEMBL9854420

COC(OC)OC(=O)C(C)=Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 3/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMPD2 O60906 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
BACE1 P56817 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3826539 0.84 KDM4E (0.55) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL10537503 0.81 KDM4E (0.55) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL10501806 0.77 KDM4E (0.51) KDM4EMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL2567669 0.77 KDM4E (0.51) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL23795398 0.77 ALDH1A1 (0.51) KDM4EMTNR1AMTNR1BALDH1A1HDAC8
SCHEMBL28989628 0.76 KDM4E (0.47) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL36974 0.76 KDM4E (0.68) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL819646 0.76 KDM4E (0.68) KDM4EMTNR1AMTNR1BALDH1A1F2
SCHEMBL28989634 0.75 KDM4E (0.49) KDM4EMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL553714 0.74 KDM4E (0.57) KDM4EMTNR1AMTNR1BALDH1A1F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418917-A2 Monomers and polymers containing acetal and aldehyde groups National Starch and Chemical Investment Holding Corporation (US) 1991-03-27 EP disclosed