SCHEMBL2240358

SCHEMBL2240358

C=C(CCCCOC(=O)Oc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
MMP2 P08253 4/20 0.44
MGLL Q99685 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
F2 P00734 1/20 0.36
POLB P06746 3/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL4846755 0.83 MMP3 (0.65) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL3849333 0.82 MMP2 (0.59) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL4408915 0.82 HDAC1 (0.66) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL1274377 0.82 HDAC1 (0.66) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL6518366 0.81 HDAC1 (0.50) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL5157671 0.80 PPARA (0.53) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL5706662 0.79 TDP1 (0.39) HDAC1HDAC2MAPTTDP1KDM4E
SCHEMBL12348085 0.79 TSHR (0.47) MMP3HDAC1HDAC2MMP2MGLL
SCHEMBL8939351 0.79 MMP2 (0.67) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL29322190 0.78 POLB (0.50) MMP3HDAC1HDAC2MMP2MGLL

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