SCHEMBL9165474

SCHEMBL9165474

COc1ccc2c(=O)c(C)c(C=Cc3ccccc3)oc2c1CCOC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MPI P34949 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 2/20 0.37
ALOX5 P09917 2/20 0.37
RAD52 P43351 1/20 0.36
LTB4R Q15722 1/20 0.36
MAOB P27338 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ABCB1 P08183 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
SCHEMBL9162488 0.85 MEN1 (0.47) KDM4EALDH1A1GAAHPGDMAOB
SCHEMBL9162496 0.85 MEN1 (0.47) KDM4EALDH1A1GAAHPGDMAOB
SCHEMBL9165469 0.78 MAPT (0.39) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL9165481 0.78 MAPT (0.39) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL9163981 0.77 LTB4R (0.42) LTB4RL3MBTL1MEN1KMT2APOLB
SCHEMBL9163987 0.77 LTB4R (0.42) LTB4RL3MBTL1MEN1KMT2APOLB
SCHEMBL9164164 0.75 NFE2L2 (0.44) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL9164174 0.75 NFE2L2 (0.44) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL9166291 0.74 MEN1 (0.50) KDM4EALDH1A1HPGDMAOBMEN1
SCHEMBL9166285 0.74 MEN1 (0.50) KDM4EALDH1A1HPGDMAOBMEN1

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-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed