SCHEMBL28018779

SCHEMBL28018779

CCc1ccc2c(c1CO)C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.49
MAPT P10636 10/20 0.46
MAPK1 P28482 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
CYP3A4 P08684 3/20 0.46
LMNA P02545 3/20 0.46
MCL1 Q07820 2/20 0.46
MAOA P21397 2/20 0.46
KDM4E B2RXH2 2/20 0.46
BCL2 P10415 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL3798382 0.88 MAPK1 (0.50) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL1399810 0.81 ELANE (0.61) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL28848100 0.80 ELANE (0.46) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL28758865 0.79 ELANE (0.69) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL27729168 0.79 MEN1 (0.62) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2396651 0.78 ELANE (0.53) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2315928 0.77 ELANE (0.49) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
Digiferruginol SCHEMBL23199057 0.76 ELANE (0.69) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6682201 0.76 MAPK1 (0.64) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1
Digiferruginol SCHEMBL30614617 0.76 ELANE (0.69) ELANEMAPTMAPK1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803837-A Method for preparing 2-ethyl anthraquinone through one-step reaction of ethylbenzene and phthalic anhydride under catalysis of alkali desilication modified Hbeta molecular sieve UNIV HEILONGJIANG 2015-07-29 CN disclosed
CN-103833534-A Method for catalytically preparing 2-ethyl anthraquinone by alkali desilicicated modified Hbeta molecular sieve UNIV HEILONGJIANG 2014-06-04 CN disclosed