SCHEMBL81995

SCHEMBL81995

C=C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
ELANE P08246 1/20 0.53
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
MGLL Q99685 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL10412815 0.95 GAA (0.54) GAABCL9CTNNB1ELANEKMT2A
SCHEMBL18541655 0.92 ELANE (0.66) GAABCL9CTNNB1ELANEKMT2A
SCHEMBL13609816 0.91 GAA (0.50) GAABCL9CTNNB1ELANEKMT2A
Dioxane SCHEMBL9440882 0.91 GAA (0.50) GAABCL9CTNNB1ELANEKMT2A
SCHEMBL9440872 0.87 BCL9 (0.48) GAABCL9CTNNB1ELANEKMT2A
SCHEMBL3989423 0.86 GAA (0.62) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL7063519 0.85 GAA (0.65) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL14996426 0.84 GAA (0.59) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL294243 0.83 GAA (0.55) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL28857390 0.83 GAA (0.43) GAABCL9CTNNB1ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197587-B Phosphor-containing modifier modified zirconia, preparation method thereof and optical film 山东国瓷功能材料股份有限公司 2024-07-02 CN claimed
CN-114656818-B metal oxide dispersion 凯斯科技股份有限公司 2023-11-17 CN claimed
CN-113493222-B Inorganic oxide nanoparticle dispersion liquid having high transparency, optical film prepared therefrom, and member for display 凯斯科技股份有限公司 2023-08-11 CN claimed
CN-115662684-A High-insulation stretch-resistant cable and preparation method thereof 张艳 2023-01-31 CN claimed
CN-115322100-A Delta, epsilon-alkenyl ketone compound and preparation method and application thereof 南京工业大学 2022-11-11 CN claimed
CN-115197587-A Phosphorus-containing modifier modified zirconia, preparation method thereof and optical film 山东国瓷功能材料股份有限公司 2022-10-18 CN claimed
CN-113493222-A Inorganic oxide nanoparticle dispersion liquid having high transparency, optical film prepared therefrom and member for display 凯斯科技股份有限公司 2021-10-12 CN claimed
CN-113200856-A Trifluoromethyl propylene compound and preparation method and application thereof 南京工业大学 2021-08-03 CN claimed
WO-2019034597-A1 FORCE-RESPONSIVE POLYMERSOMES AND NANOREACTORS; PROCESSES UTILIZING THE SAME ADOLPHE MERKLE INSTITUTE, UNIVERSITY OF FRIBOURG (CH) 2019-02-21 WO claimed
CN-103709343-A Block polymer with pH/temperature/light triple responsiveness and preparation method thereof SKSHU PAINT CO LTD 2014-04-09 CN claimed
EP-0826751-B1 Aqueous dispersions containing graft copolymers as the dispersant DU PONT (US) 2004-04-28 EP claimed
US-6117921-A SALT OF A GRAFT COPOLYMER DISPERSANT; BOTH PORTIONS ARE PREPARED FROM ETHYLENICALLY UNSATURATED MONOMERS AND THE SIDEARM PORTION IS HYDROPHILIC AND THE BACKBONE PORTION IS HYDROPHOBIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-12 US claimed
US-6087416-A MIXTURE CONTAINING POLYMERIC DISPERSANT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-07-11 US claimed
EP-0974607-A1 Water insoluble non-ionic graft copolymers E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-01-26 EP claimed
EP-0974626-A1 Aqueous pigmented ink jet inks for printing on vinyls E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-01-26 EP claimed
CN-1242399-A Aqueous pigmented ink jet inks for printing on vinyl type substrate DU PONT (US) 2000-01-26 CN claimed
CN-1242378-A Water insoluble non-ionic graft copolymers DU PONT (US) 2000-01-26 CN claimed
EP-0826751-A2 Aqueous dispersions containing graft copolymers as the dispersant E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
US-4450262-A HYDROXYALKYL (METH-)ACRYLATE AND NITRO SUBSTITUTED ARYL (METH-)ACRYLATE DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1984-05-22 US claimed
EP-0101300-A2 Hydrophilic copolymer compositions useful as contact lenses DIAMOND SHAMROCK CORPORATION (US) 1984-02-22 EP claimed