SCHEMBL11046152

SCHEMBL11046152

COP(=O)(OC)/C(O)=C/c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL10888977 1.00 KDM4E (0.47) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL10884977 0.78 CYP1A2 (0.45) ALDH1A1MEN1MAPTKMT2AGRIN2D
SCHEMBL11042696 0.78 CYP1A2 (0.45) ALDH1A1MEN1MAPTKMT2AGRIN2D
SCHEMBL11046190 0.77 KDM4E (0.47) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL19398043 0.73 KDM4E (0.48) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL19279399 0.73 NR1I2 (0.66) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL28257775 0.72 KDM4E (0.57) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL11040960 0.72 AKR1C3 (0.45) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL10886960 0.72 AKR1C3 (0.45) KDM4EALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL20852695 0.72 NR1I2 (0.53) KDM4EMTNR1AMTNR1BALDH1A1MEN1

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
US-4473560-A Diphosphonic acid derivatives and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed