SCHEMBL13342686

SCHEMBL13342686

COc1cc(C=O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 7/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
TDP1 Q9NUW8 5/20 0.56
HPGD P15428 4/20 0.56
CYP3A4 P08684 4/20 0.56
PHPT1 Q9NRX4 2/20 0.56
ALOX12 P18054 2/20 0.56
CASP1 P29466 1/20 0.56
MED25 Q71SY5 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
THRB P10828 4/20 0.55
RECQL P46063 3/20 0.55
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55

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
Psoromic Acid SCHEMBL2113679 0.86 MAPT (0.71) ALDH1A1MAPTKDM4EMEN1KMT2A
Psoromic Acid SCHEMBL29934794 0.86 MAPT (0.71) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2114540 0.85 KDM4E (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2111729 0.85 MEN1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2114883 0.83 KDM4E (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2112898 0.83 MEN1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2113411 0.82 KDM4E (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2113620 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2112509 0.81 KDM4E (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2113036 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A

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
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed