SCHEMBL5070648

SCHEMBL5070648

CC1(OCc2ccccc2)COC(=O)OC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAOB P27338 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8306987 0.81 MAOB (0.41) ALDH1A1MAOBMAOA
SCHEMBL9008850 0.81 ALDH1A1 (0.37) ALDH1A1MAOBCA1CA2CA9
SCHEMBL6494508 0.79 ALDH1A1 (0.39) ALDH1A1TSHRSLC6A2SLC6A3KMT2A
SCHEMBL11738902 0.79 TSHR (0.39) ALDH1A1MAOBTSHRSLC6A2SLC6A3
SCHEMBL28772875 0.78 ALDH1A1 (0.43) ALDH1A1MAOBCA1CA2CA9
SCHEMBL23705024 0.77 ALDH1A1 (0.46) ALDH1A1MAOBTSHRMMP2MMP13
SCHEMBL7076809 0.76 TSHR (0.46) ALDH1A1TSHRSLC6A2SLC6A3KMT2A
SCHEMBL27813852 0.75 ALDH1A1 (0.42) ALDH1A1MAOBTSHRMAOAMMP2
SCHEMBL846827 0.75 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9SLC6A2
SCHEMBL11634906 0.74 MEN1 (0.51) KMT2ATDP1

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
JP-2008127406-A METHOD FOR SYNTHESIZING BIODEGRADABLE POLYMER INSTITUTE OF NATIONAL COLLEGES OF TECHNOLOGY JAPAN 2008-06-05 JP disclosed