SCHEMBL21173459

SCHEMBL21173459

CCc1oc(O)cc(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TTR P02766 6/20 0.37
TEAD4 Q15561 1/20 0.34
MMP2 P08253 1/20 0.34
CYP2C9 P11712 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 2/20 0.33
BIRC5 O15392 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL5315829 0.82 MMP2 (0.49) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL8663329 0.79 KDM4E (0.69) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL13647562 0.76 KDM4E (0.42) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL736223 0.71 KDM4E (0.45) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL16921604 0.71 KDM4E (0.59) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL8397201 0.67 MMP2 (0.47) KDM4EPOLBALDH1A1TDP1L3MBTL1
E637 SCHEMBL41817 0.67 KDM4E (0.55) KDM4EPOLBALDH1A1TDP1L3MBTL1
E637 SCHEMBL1870685 0.67 KDM4E (0.55) KDM4EPOLBALDH1A1TDP1L3MBTL1
E637 SCHEMBL23309786 0.65 KDM4E (0.53) KDM4EPOLBALDH1A1TDP1L3MBTL1
E637 SCHEMBL6657728 0.65 KDM4E (0.53) KDM4EPOLBALDH1A1TDP1L3MBTL1

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-3310778-B1 KOJIC ACID-DERIVED MANNICH BASES WITH BIOLOGICAL EFFECT AYTEMIR MUTLU (TR) 2019-07-17 EP disclosed