SCHEMBL3355586

SCHEMBL3355586

CCOC(=O)c1ccc(N)c(NCCN2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.53
ALOX15 P16050 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR4 Q13639 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15774342 0.91 PTGER4 (0.65) PTGER4ALOX15KCNH2HRH3MEN1
SCHEMBL3416308 0.89 ALDH1A1 (0.54) MEN1KMT2AGAAGLAMAPT
SCHEMBL18889172 0.86 KCNH2 (0.47) PTGER4ALOX15KCNH2HRH3MEN1
SCHEMBL13537225 0.84 KCNH2 (0.46) PTGER4KCNH2HRH3MEN1KMT2A
SCHEMBL13537227 0.83 KCNH2 (0.45) PTGER4KCNH2HRH3MEN1KMT2A
SCHEMBL3349981 0.82 MAPT (0.59) PTGER4KCNH2HRH3MEN1KMT2A
SCHEMBL15774705 0.81 PTGER4 (0.61) PTGER4ALOX15MEN1KMT2AGAA
SCHEMBL15774548 0.80 ALDH1A1 (0.72) PTGER4KCNH2KMT2AMAPTALDH1A1
SCHEMBL13497806 0.80 PTGER4 (0.58) PTGER4ALOX15KMT2AGAAMAPT
SCHEMBL23286940 0.79 ALDH1A1 (0.54) MEN1KMT2AGLAALDH1A1SMN1; 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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed