SCHEMBL3673808

SCHEMBL3673808

CC(CCNC(=O)OCc1ccc(C(=O)C(C)(C)O)cc1)CC(C)(C)CNC(=O)OCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SLC1A1 P43005 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TGM2 P21980 1/20 0.34
CTSS P25774 1/20 0.34
PLG P00747 1/20 0.34
TPSAB1 Q15661 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
SCHEMBL13872052 0.83 TGM2 (0.41) SLC1A3SLC1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4423642 0.83 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL3681737 0.83 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3679607 0.81 TGM2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3677653 0.81 TGM2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3671587 0.81 TGM2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3681588 0.81 TGM2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3671499 0.80 HTT (0.50) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL4423648 0.76 KDM4E (0.31) SMN1; SMN2ALDH1A1
SCHEMBL2228925 0.74 CHRNB2 (0.37) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed