SCHEMBL9655485

SCHEMBL9655485

COC1=C(C)C(=O)C(OC)=C(C)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.64
CDC25B P30305 2/20 0.64
MAPT P10636 8/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 3/20 0.50
IDO1 P14902 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
MAP2K7 O14733 1/20 0.50
GMNN O75496 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL12592463 0.94 CDC25A (0.58) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL14507706 0.89 CDC25A (0.54) CDC25ACDC25BMAPTALDH1A1KDM4E
Aurantiogliocladin SCHEMBL487583 0.87 MAPT (0.50) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL5590298 0.87 CDC25A (0.56) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL9061250 0.81 MAPT (0.52) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL14407300 0.81 MAPT (0.50) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL15944061 0.81 CDC25A (0.52) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL5143019 0.81 CDC25A (0.52) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL5143251 0.79 MAPT (0.51) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL5144912 0.79 IDO1 (0.46) CDC25ACDC25BMAPTALDH1A1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0255020-B1 WATER SOLUBLE TRIPHENODIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-19 EP disclosed
EP-0229339-B1 WATER SOLUBLE TRIPHENE DIOXAZINE COMPOUNDS, THEIR STARTING COMPOUNDS CONTAINING SULPHONYL GROUPS, PROCESS FOR THEIR PREPARATION AND USE OF THE TRIPHENE DIOXAZINES AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-16 EP disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 EP disclosed
US-4898944-A Precursors for the preparation of water-soluble triphendioxazine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4895954-A Dyeing wool, cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-23 US disclosed
US-4816574-A FIBER-REACTIVE DYES FOR WOOL, CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
US-4786728-A FIBER-REACTIVE DYES FOR COTTON HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-22 US disclosed
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0141996-B1 TRIPHENDIOXAZINE REACTIVE DYES BAYER AG (DE) 1987-11-25 EP disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed
EP-0144580-B1 TRIPHENDIOXAZINE DYES BAYER AG (DE) 1987-07-08 EP disclosed
EP-0222098-A2 Water soluble triphenodioxazine compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-20 EP disclosed
US-4629788-A COLORFASTNESS; BLUE COLOR; NATURAL AND SYNTHETIC FIBER BAYER AKTIENGESELLSCHAFT (DE) 1986-12-16 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
EP-0158882-A2 Triphenedioxazine dyes BAYER AG (DE) 1985-10-23 EP disclosed
EP-0144580-A2 Triphendioxazine dyes BAYER AG (DE) 1985-06-19 EP disclosed
EP-0141996-A2 Triphendioxazine reactive dyes BAYER AG (DE) 1985-05-22 EP disclosed