Ether

Ether

SCHEMBL5166791

CCOCC.O=C1C=CCC1Cc1ccccc1

nearest known ligand 0.45

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.45
PSEN2 P49810 7/20 0.45
APH1B Q8WW43 7/20 0.45
NCSTN Q92542 7/20 0.45
APH1A Q96BI3 7/20 0.45
PSENEN Q9NZ42 7/20 0.45
ALDH1A1 P00352 3/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5170679 0.89 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
Water SCHEMBL5166797 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10280608 0.75 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
Ether SCHEMBL5170417 0.70 ALDH1A1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Ether SCHEMBL5170714 0.70 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6902657 0.68
SCHEMBL10435329 0.67 DDB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21821563 0.67 PGR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Ether SCHEMBL5167130 0.66 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7639944 0.66 MAOB (0.44) ALDH1A1DDB1CRBNKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103255-B1 METHOD OF REARING AND FEEDS TAKARA BIO INC (JP) 2007-05-02 EP disclosed
EP-1000923-B1 CYCLOPENTENONE DERIVATIVES TAKARA BIO INC (JP) 2003-12-03 EP disclosed
US-6552001-B1 Method breeding and feeds TAKARA SHUZO CO., LTD. (JP) 2003-04-22 US disclosed
EP-1106624-B1 5-MEMBERED RING COMPOUNDS TAKARA BIO INC (JP) 2003-04-09 EP disclosed
US-6380262-B1 HAVING CARCINOSTATIC ACTIVITY WHICH IS USEFUL IN A FIELD OF MEDICINE TAKARA SHUZO CO., LTD. (JP) 2002-04-30 US disclosed
EP-1170007-A1 REMEDIES Takara Shuzo Co, Ltd. (JP) 2002-01-09 EP disclosed
EP-1106624-A1 5-MEMBERED RING COMPOUNDS Takara Shuzo Co, Ltd. (JP) 2001-06-13 EP disclosed
EP-1103255-A1 METHOD OF REARING AND FEEDS Takara Shuzo Co, Ltd. (JP) 2001-05-30 EP disclosed
US-6111145-A MONO- OR DIETHER OF 4,5-DIHYDROXY-2-CYCLOPENTEN-1-ONE OF GIVEN FORMULA, SUCH AS 4,5-DI-TERTBUTYLCYCLOPENTENONE ETHER; MADE BY REACTING THE ABOVE MENTIONED DIOL WITH ALCOHOL(S); ANTICANCER AGENT TAKARA SHUZO COMPANY (JP) 2000-08-29 US disclosed
EP-1000923-A1 CYCLOPENTENONE DERIVATIVES Takara Shuzo Co, Ltd. (JP) 2000-05-17 EP disclosed