SCHEMBL9651750

SCHEMBL9651750

CCOCCC1=CC(=O)C=CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ERBB2 P04626 1/20 0.36
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ALOX5 P09917 4/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL10600348 0.88 ACHE (0.52) ACHEBACE1MAOAMAOBERBB2
SCHEMBL17738124 0.84 ACHE (0.60) ACHEBACE1MAOAMAOBERBB2
SCHEMBL28548919 0.80 ACHE (0.53) ACHEBACE1MAOAMAOBERBB2
SCHEMBL5051489 0.77 ACHE (0.70) ACHEBACE1MAOAMAOBERBB2
SCHEMBL7915011 0.76 ACHE (0.61) ACHEBACE1MAOAMAOBERBB2
SCHEMBL28229943 0.75 ACHE (0.68) ACHEBACE1MAOAMAOBERBB2
SCHEMBL7617014 0.74 ACHE (0.47) ACHEBACE1MAOAMAOBERBB2
SCHEMBL439163 0.74 ACHE (0.85) ACHEBACE1MAOAMAOBERBB2
SCHEMBL14586070 0.73 ACHE (0.78) ACHEBACE1MEN1KMT2AMAPT
SCHEMBL891244 0.72 ACHE (0.96) ACHEBACE1MAOAMAOBMEN1

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 18 patents. 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-0222098-B1 WATER SOLUBLE TRIPHENODIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-02 — — 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-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 — — 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
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
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