SCHEMBL2779232

SCHEMBL2779232

C=CCOc1ccc(C=O)cc1OC(=O)C(NC(=O)OC(C)(C)C)C(C)OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 4/20 0.31
PTPN1 P18031 1/20 0.31
TRPA1 O75762 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2781567 0.87 MAPT (0.33) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL13086347 0.87 CYP2C9 (0.32) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL13086390 0.85 HDAC3 (0.30)
SCHEMBL13085765 0.76 MEN1 (0.39) ALDH1A1TRPA1MEN1KMT2ASMN1; SMN2
SCHEMBL13086343 0.70 CTSK (0.38) TRPA1TSHRMEN1KMT2A
SCHEMBL13086598 0.68 MEN1 (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2778319 0.67 ALDH1A1 (0.42) KDM4EPOLBALDH1A1GLAGAA
SCHEMBL13085814 0.66 EPHX2 (0.39) KDM4EPOLBALDH1A1GLAGAA
SCHEMBL2778886 0.65 ALDH1A1 (0.42) KDM4EPOLBALDH1A1GLAGAA
SCHEMBL13086318 0.64 ALDH1A1 (0.40) KDM4EPOLBALDH1A1GLAGAA

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
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed