SCHEMBL27492004

SCHEMBL27492004

C=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC)c1ccc(S)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
EPHX2 P34913 1/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MCL1 Q07820 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
SFRP1 Q8N474 2/20 0.36
ALK Q9UM73 2/20 0.36
PDE4B Q07343 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 1/20 0.35
USP30 Q70CQ3 3/20 0.35
ROCK2 O75116 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
SCHEMBL27490240 0.93 ALK (0.35) NR1H2NR1H3ALKMAPT
SCHEMBL27475645 0.86 PDK2 (0.34) NR1H2NR1H3
SCHEMBL7847221 0.83 HDAC4 (0.43) EPHX2HDAC4MAPT
SCHEMBL6197879 0.82 ITGB2 (0.45)
SCHEMBL6201497 0.78 ITGAL (0.34) NR1H2NR1H3EPHX2HDAC4HDAC6
SCHEMBL7617894 0.78 ITGB2 (0.42) NR1H2NR1H3MMP1MMP3MMP7
SCHEMBL6201492 0.77 ABHD6 (0.35) NR1H2NR1H3HDAC6MCL1SFRP1
SCHEMBL28761889 0.76 MAPT (0.39) MAPT
SCHEMBL6199011 0.75 ITGB2 (0.41) MAPT
SCHEMBL1849268 0.73 NR1H2 (0.54) NR1H2NR1H3EPHX2SETD7PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN claimed
CN-1955164-A Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LAB (US) 2007-05-02 CN disclosed
CN-1680338-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed