SCHEMBL12347973

SCHEMBL12347973

CCC(C)C(=O)OCOc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.50
▸ MMP3 P08254 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.44
▸ MGLL Q99685 2/20 0.43
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL13860544 0.96 MMP2 (0.56) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL12347968 0.87 ALDH1A1 (0.57) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL12347967 0.85 MAPT (0.52) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL10033505 0.84 MGLL (0.51) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL12347962 0.83 ALDH1A1 (0.54) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL11147711 0.81 MMP2 (0.56) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL10033533 0.80 RAB9A (0.50) MMP2MMP3RAB9AMAOBMMP13
SCHEMBL14791143 0.80 PPARA (0.53) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL17131748 0.79 PPARA (0.49) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL14010344 0.79 MAPT (0.52) MMP3MAPTRAB9A

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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