SCHEMBL12347968

SCHEMBL12347968

CCC(C)C(=O)OCCOc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HRH3 Q9Y5N1 3/20 0.49
▸ MMP2 P08253 8/20 0.49
▸ MMP3 P08254 6/20 0.49
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ HRH2 P25021 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ PPARA Q07869 2/20 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
SCHEMBL12347962 0.96 ALDH1A1 (0.54) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL12347967 0.93 MAPT (0.52) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL14791143 0.92 PPARA (0.53) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL14791144 0.89 PPARA (0.50) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL275085 0.87 MAPT (0.51) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL9607805 0.87 MAPT (0.51) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL12347973 0.87 MMP2 (0.50) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL26812832 0.86 MAPT (0.44) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL12112338 0.86 MAPT (0.44) ALDH1A1MAPTHRH3MMP2MMP3
SCHEMBL17131748 0.86 PPARA (0.49) ALDH1A1MAPTHRH3MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989037-B2 A layer of discotic liquid-crystal and an anisotropic fluoropolymer of acrylic esters, e.g., 4-((4-nitrilophenoxy)butyl acrylate /2-(perfluorhexyl)ethyl acrylate copolymer; providing stability/optical compensation; no defects from optical fluctuation or alignment failure; controlling the tilt angle FUJIFILM CORPORATION (JP) 2011-08-02 — — US disclosed
US-20080090027-A1 Composition, retardation plate, and liquid-crystal display device FUJIFILM CORPORATION (JP) 2008-04-17 — — US disclosed
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