SCHEMBL13242512

SCHEMBL13242512

CCOC(=O)CCNC(C)CCC(C)NC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 2/20 0.36
TOP2A P11388 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL13151214 0.87 CYP1A2 (0.42) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL13703280 0.85 L3MBTL1 (0.41) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL6253190 0.84 L3MBTL1 (0.51) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL3987200 0.82 GAA (0.46) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL3209626 0.81 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL13238332 0.80 L3MBTL1 (0.40) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL7309740 0.80 GAA (0.52) L3MBTL1GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL10499779 0.79 GAA (0.43) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL11237465 0.79 CYP1A2 (0.48) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL13238410 0.79 KDM4E (0.37) KMT2ACYP1A2KDM4E

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
US-7759435-B2 Adducts and curable compositions using same LOCTITE (R&D) LIMITED (IE) 2010-07-20 US disclosed
US-20080076886-A1 Backbones of polyethers, perfluorinated polyethers, polydimethylsiloxanes and hydroxy terminated polybutadienes coupled to phenyl, biphenyl, bisphenol A, bisphenol F, bisphenol S, bisphenol E, allyl, alkyl, alkenyl, carboxy, N-carbamoyl, cyclic amides, epoxy and a thermosetting component; toughening LOCTITE (R&D) LIMITED 2008-03-27 US disclosed