SCHEMBL12331025

SCHEMBL12331025

CC(C)OC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.70
▸ ALDH1A1 P00352 8/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ USP2 O75604 7/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ GAA P10253 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ RECQL P46063 3/20 0.53
▸ TLR9 Q9NR96 1/20 0.53
▸ CASP1 P29466 5/20 0.51
▸ CASP7 P55210 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ ALOX15 P16050 4/20 0.51
▸ ATM Q13315 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ BRCA1 P38398 2/20 0.51
▸ HBB P68871 2/20 0.51

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
SCHEMBL12761821 0.88 SLC16A3 (0.74) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL29413851 0.86 SLC16A3 (0.80) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL2843124 0.86 SLC16A3 (0.80) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL14129630 0.85 SLC16A3 (0.74) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL29370055 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL10123976 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL194640 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL12511762 0.84 SLC16A3 (0.83) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL45609 0.83 SLC16A3 (1.00) SLC16A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL29364862 0.83 SLC16A3 (1.00) SLC16A3ALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011112969-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR METAL-FREE CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2011-09-15 — — WO disclosed
WO-2011088405-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-07-21 — — WO disclosed
EP-1907444-B1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES INC (US) 2009-08-19 — — EP disclosed
WO-2007127473-A2 POLY (ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 — — WO disclosed
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