SCHEMBL2156583

SCHEMBL2156583

CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCN(CC)CCC[O-].CCN(CC)CCC[O-].[Ti+4]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOB P27338 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL261344 0.81 CA2 (0.41) CYP3A4NPSR1
SCHEMBL6681534 0.81 CA2 (0.41) CYP3A4NPSR1
SCHEMBL2671503 0.80 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL2672035 0.79 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL5317232 0.79 CYP3A4 (0.38) CYP3A4NPSR1
SCHEMBL14813969 0.79 CYP3A4 (0.38) CYP3A4NPSR1
SCHEMBL5149610 0.78 CYP3A4 (0.36) CYP3A4GAANPSR1
SCHEMBL1228648 0.78 CYP3A4 (0.36) CYP3A4GAANPSR1
SCHEMBL230829 0.78 TSHR (0.39) ALDH1A1CYP3A4GAANPSR1
SCHEMBL829930 0.78 CA2 (0.41) CYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746135-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-05-29 EP disclosed
EP-1749858-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-04-03 EP disclosed
EP-1749857-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-03-27 EP disclosed
US-7973108-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-05 US disclosed
US-7763673-B2 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2010-07-27 US disclosed
US-7625990-B2 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2009-12-01 US disclosed
US-20080319152-A1 Curable Composition KANEKA CORPORATION (JP) 2008-12-25 US disclosed
US-20080287636-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-11-20 US disclosed
US-7446158-B2 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-11-04 US disclosed
US-20080033087-A1 Polyoxyalkylene glycol or a methacrylate polymer containing a crosslinkable silicon group; a titaniuim chelate of an alkyl acetoacetoate or derivative; and an amide wax thickener; highly curable KANEKA CORPORATION (JP) 2008-02-07 US disclosed
US-20070219299-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION 2007-09-20 US disclosed
EP-1752496-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-14 EP disclosed
EP-1749857-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed
EP-1749858-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed
EP-1746135-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-01-24 EP disclosed