SCHEMBL5317232

SCHEMBL5317232

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL14813969 1.00 CYP3A4 (0.38) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1228648 0.91 CYP3A4 (0.36) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL5149610 0.91 CYP3A4 (0.36) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL230829 0.91 TSHR (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6681534 0.90 CA2 (0.41) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL261344 0.90 CA2 (0.41) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL5151546 0.89 TSHR (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1230753 0.89 TSHR (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1229405 0.86 CYP3A4 (0.36) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1229982 0.86 CYP3A4 (0.36) CYP3A4TSHRNFKB1NPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717287-B1 Adhesive and laminate NITTO DENKO CORP (JP) 2007-11-21 EP disclosed
US-20060246281-A1 Adhesive and laminate NITTO DENKO CORPORATION (JP) 2006-11-02 US disclosed
EP-1717287-A1 Adhesive and laminate NITTO DENKO CORPORATION (JP) 2006-11-02 EP disclosed