SCHEMBL5137268

SCHEMBL5137268

CC(=O)OCCCCOC(C)=O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ P2RY12 Q9H244 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ CHRM5 P08912 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39

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
Acetic Acid Pentyl Ester SCHEMBL27575831 0.93 ALDH1A1 (0.59) ALDH1A1TSHRLMNARAB9AMMP1
SCHEMBL2232676 0.91 GSK3A (0.50) ALDH1A1GSK3AGSK3BCCR6PDE3B
Acetic Acid Butyl Ester SCHEMBL27541261 0.90 ALDH1A1 (0.67) ALDH1A1GSK3AGSK3BCCR6SMN1; SMN2
Acetic Acid Propyl Ester SCHEMBL27558485 0.86 ALDH1A1 (0.48) ALDH1A1GSK3AGSK3BCCR6CHRM5
Ethyl Acetate SCHEMBL30949312 0.83 ALDH1A1 (0.58) ALDH1A1GSK3AGSK3BCCR6TSHR
Ethyl Acetate SCHEMBL8104340 0.83 ALDH1A1 (0.58) ALDH1A1GSK3AGSK3BCCR6TSHR
Tetrahydrofuran SCHEMBL6448935 0.82 GSK3A (0.37) ALDH1A1GSK3AGSK3BCCR6PDE3B
SCHEMBL27535410 0.81 MAPK1 (0.42) ALDH1A1GSK3AGSK3BCCR6CHRM5
SCHEMBL5068724 0.80 GSK3A (0.42) ALDH1A1GSK3AGSK3BCCR6CHRM5
SCHEMBL189930 0.79 ALDH1A1 (0.74) ALDH1A1PTGS2CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6929827-B2 Method of producing color filter DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-16 — — US claimed
EP-1193513-B1 Method of producing color filter DAINIPPON INK & CHEMICALS (JP) 2008-12-03 — — EP disclosed
EP-1174765-B1 Color filter and method for producing the same DAINIPPON INK & CHEMICALS (JP) 2006-05-03 — — EP disclosed
US-6929827-B2 Method of producing color filter DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-16 — — US disclosed
US-6524757-B2 Forming pattern using alkaline developers; photopolymerization DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-02-25 — — US disclosed
US-20020081376-A1 Method of producing color filter DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-06-27 — — US disclosed
EP-1193513-A2 Method of producing color filter DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-04-03 — — EP disclosed
US-20020025481-A1 Color filter and method for producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-02-28 — — US disclosed
EP-1174765-A1 Color filter and method for producing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-23 — — EP disclosed
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