SCHEMBL28301504

SCHEMBL28301504

CCC(C)C(=O)Oc1c2ccccc2c(OC(=O)C(C)CC)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 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
SCHEMBL12419181 0.93 L3MBTL1 (0.37) L3MBTL1KDM4EKMT2ATSHRALDH1A1
SCHEMBL8738725 0.93 ALDH1A1 (0.39) L3MBTL1KDM4EKMT2ATSHRALDH1A1
SCHEMBL12419182 0.92 HSD17B10 (0.38) L3MBTL1KDM4EKMT2ATSHRALDH1A1
SCHEMBL12419186 0.92 LMNA (0.37) L3MBTL1KDM4EKMT2ATSHRALDH1A1
SCHEMBL12419174 0.89 KDM4E (0.40) L3MBTL1KDM4EKMT2AALDH1A1MAPT
SCHEMBL12385764 0.84 GAA (0.38) KDM4EKMT2ATSHRALDH1A1MAPT
SCHEMBL15447053 0.84 LMNA (0.45) L3MBTL1KDM4EKMT2ATSHRALDH1A1
SCHEMBL15447052 0.82 HTT (0.40) L3MBTL1KDM4EKMT2AALDH1A1MAPT
SCHEMBL8738223 0.82 LCK (0.37) KDM4EKMT2AALDH1A1MAPTHSD17B10
SCHEMBL15548526 0.81 KMT2A (0.49) L3MBTL1KDM4EKMT2ATSHRALDH1A1

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
CN-109796362-A A kind of preparation method of 9,10- bis- (N- (2,3- dihydroxypropyl) propionamido-) anthracene 赣南师范大学 2019-05-24 CN disclosed