SCHEMBL5230129

SCHEMBL5230129

CC(C)Oc1ccc(-n2c(C(=O)Oc3ccccc3C(F)(F)F)c(-c3cccnc3)c3ccccc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
PLK1 P53350 2/20 0.36
PLK3 Q9H4B4 2/20 0.36
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
NOTUM Q6P988 1/20 0.35
CFTR P13569 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CXCR3 P49682 2/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4189990 0.78 NR4A2 (0.41) CFTRMKNK1MKNK2EPHX2MAPT
SCHEMBL4023313 0.76 PTGES (0.40) PLK1PLK3MKNK1MKNK2EPHX2
SCHEMBL29834882 0.62 HDAC6 (0.51) HDAC1HDAC6ALDH1A1MAPTSMN1; SMN2
SCHEMBL27653888 0.59 NR1H2 (0.69)
SCHEMBL1125399 0.58 NR1H2 (0.83) SCN5ASCN9A
SCHEMBL12613920 0.57 KDM4E (0.46) HDAC6MKNK1MKNK2ALDH1A1
SCHEMBL105728 0.57 ADRA2A (0.53) SLC6A2SLC6A4ALDH1A1
SCHEMBL29834889 0.56 NR4A2 (0.47) CFTRALDH1A1
SCHEMBL11235065 0.56 FABP4 (0.50) ALDH1A1
SCHEMBL29995840 0.56 CYP11B2 (0.49) HDAC6ALDH1A1MAPTSMN1; SMN2

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
EP-1765775-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-03-28 EP disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed