SCHEMBL17226509

SCHEMBL17226509

CCN(CCC(C)C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
LIPE Q05469 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR1A P08908 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL4269382 0.88 USP2 (0.43) CA1CA12CA9CA2USP2
SCHEMBL15745497 0.85 KDM4C (0.39) CA1CA12CA9CA2USP2
SCHEMBL12059257 0.84 CA12 (0.41) CA1CA12CA9CA2USP2
SCHEMBL23373533 0.84 CA1 (0.48) CA1CA12CA9CA2USP2
SCHEMBL27938980 0.84 KDM4C (0.41) CA1CA12CA9CA2USP2
SCHEMBL26935069 0.83 USP2 (0.41) CA1CA12CA9USP2LMNA
SCHEMBL27611238 0.82 LMNA (0.34) CA1CA12CA9USP2ALDH1A1
SCHEMBL3269723 0.82 CA1 (0.37) CA1CA12CA9CA2ALDH1A1
SCHEMBL3269727 0.82 CA1 (0.37) CA1CA12CA9CA2ALDH1A1
SCHEMBL5207797 0.81 CA12 (0.50) CA1CA12CA9CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611241-B1 LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR PREPARING LIQUID CRYSTAL ALIGNMENT LAYER BY USING SAME, AND LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WHICH USE SAME LG CHEMICAL LTD (KR) 2021-04-14 EP disclosed
WO-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
EP-3611241-A1 LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR PREPARING LIQUID CRYSTAL ALIGNMENT LAYER BY USING SAME, AND LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WHICH USE SAME LG Chem, Ltd. (KR) 2020-02-19 EP disclosed
WO-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed
WO-2017050714-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed