SCHEMBL11857045

SCHEMBL11857045

COC(=O)c1cc(OC)c(C(N)C(C)=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SLC7A5 Q01650 2/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42

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
SCHEMBL917818 0.79 MAPT (0.50) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL11852308 0.75 MAPT (0.44) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL10683847 0.74 KDM4E (0.53) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL31238916 0.74 CNR2 (0.62) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL25688172 0.73 MAPT (0.37) MAPTKDM4EALDH1A1CNR2CA1
Methyl Syringate SCHEMBL211747 0.72 MEN1 (0.61) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL2114318 0.72 KMT2A (0.61) MAPTKDM4EALDH1A1CNR2CA1
Syringate SCHEMBL159392 0.72 CA12 (0.67) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL11855071 0.72 MAPT (0.54) MAPTKDM4EALDH1A1CNR2CA1
SCHEMBL31354536 0.71 LMNA (0.43) MAPTKDM4EALDH1A1CNR2CA1

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-3931181-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed