SCHEMBL13860544

SCHEMBL13860544

CCC(C)C(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.56
▸ MMP3 P08254 6/20 0.56
▸ KDM4E B2RXH2 1/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL12347973 0.96 MMP2 (0.50) MMP2MMP3KDM4EMMP13MMP1
SCHEMBL11147711 0.86 MMP2 (0.56) MMP2MMP3KDM4EMMP13MMP1
SCHEMBL14010344 0.84 MAPT (0.52) MMP3MAPTRAB9APTGER4
SCHEMBL12347968 0.83 ALDH1A1 (0.57) MMP2MMP3MMP13MMP1MMP9
SCHEMBL13860553 0.83 MMP2 (0.50) MMP2MMP3KDM4EMMP13MMP1
SCHEMBL12347967 0.82 MAPT (0.52) MMP2MMP3MMP13MMP1MMP9
SCHEMBL10033505 0.81 MGLL (0.51) MMP2MMP3ALDH1A1HRH3MAPT
SCHEMBL15582179 0.80 MMP2 (0.50) MMP2MMP3KDM4EMMP13MMP1
SCHEMBL15582294 0.80 MMP2 (0.50) MMP2MMP3KDM4EMMP13MMP1
SCHEMBL275085 0.80 MAPT (0.51) MMP2MMP3MMP13MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090133746-A1 Solid-State Electrolyte Composition Containing Liquid Crystal Materials and Dye-Sensitized Solar Cells Using the Same JIN SUNG HO 2009-05-28 — — US disclosed
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