SCHEMBL11087771

SCHEMBL11087771

CCOC(=O)CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNH2 Q12809 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
PPARA Q07869 1/20 0.47
ERCC5 P28715 2/20 0.46
FEN1 P39748 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL276803 0.92 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ELMNAMAPTL3MBTL1
SCHEMBL4263364 0.88 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNAMAPTL3MBTL1
SCHEMBL5753439 0.86 ERCC5 (0.62) MMP1SMN1; SMN2LMNAMAPTPPARA
SCHEMBL24209522 0.86 MMP1 (0.59) MMP1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL3167665 0.85 MAOB (0.62) SMN1; SMN2KDM4ELMNAMAPTL3MBTL1
SCHEMBL7409439 0.84 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNAMAPTL3MBTL1
SCHEMBL5750106 0.84 HTR2A (0.44) MMP1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL23149606 0.82 ERCC5 (0.57) MMP1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL314216 0.81 HDAC3 (0.60) MMP1KDM4ELMNAMAPTMEN1
SCHEMBL11830013 0.81 NPC1 (0.62) SMN1; SMN2KDM4EMAPTL3MBTL1MEN1

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-4460400-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed