SCHEMBL11039554

SCHEMBL11039554

O=C(OC(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O)Oc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.55
TTR P02766 3/20 0.52
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KCNA3 P22001 1/20 0.49
MAOA P21397 2/20 0.49
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 3/20 0.47
ADORA2A P29274 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL28341314 0.88 ELANE (0.57) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL16721016 0.85 KCNA3 (0.56) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL23212346 0.84 TTR (0.57) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL11102131 0.84 ELANE (0.53) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL27602059 0.83 ELANE (0.56) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL11110100 0.83 ELANE (0.67) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL11101186 0.83 TTR (0.72) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL8675454 0.83 TTR (0.52) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL11107372 0.83 KEAP1 (0.53) ELANETTRALDH1A1L3MBTL1KCNA3
SCHEMBL2460415 0.81 ELANE (0.54) ELANETTRALDH1A1L3MBTL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019285-B1 PROCESS FOR PREPARING ASYMMETRICAL VAT DYESTUFFS OF THE ANTHRAQUINONE SERIES AND THEIR USE IN DYEING AND PRINTING CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed