SCHEMBL8772052

SCHEMBL8772052

CCCC(C)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
MAPK1 P28482 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
RAB9A P51151 4/20 0.45
EGFR P00533 3/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
PABPC1 P11940 2/20 0.45
NSD2 O96028 1/20 0.45
ADORA2A P29274 1/20 0.44
KEAP1 Q14145 1/20 0.41
MAOA P21397 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9062726 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL526407 0.86 TSHR (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9745014 0.82 MAPK1 (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL5534332 0.82 MAPK1 (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL27575723 0.80 MAPK1 (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL7915851 0.78 ADORA2A (0.53) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL10433548 0.78 ADORA2A (0.53) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL6374060 0.76 ADORA2A (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL31380293 0.75 TSHR (0.48) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL6711780 0.75 MAPT (0.50) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603624-B1 Process for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL CO (JP) 1997-10-08 EP disclosed
EP-0546616-B1 Process for the production of hydrogen peroxide SOLVAY INTEROX (BE) 1996-10-02 EP disclosed
US-5399333-A Process for producing hydrogen peroxide MITSUBISHI CHEMICAL GAS CO., LTD. (JP) 1995-03-21 US disclosed
US-5342603-A Catalytic hydrogenation of alkylanthraquinones followed by oxidation INTEROX INTERNATIONAL (BE) 1994-08-30 US disclosed
EP-0603624-A1 Process for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-06-29 EP disclosed
EP-0546616-A1 Process for the production of hydrogen peroxide SOLVAY INTEROX (Société Anonyme) (BE) 1993-06-16 EP disclosed
US-4374820-A Manufacture of H2 O2 E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-22 US disclosed