SCHEMBL29035583

SCHEMBL29035583

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA2 P00918 2/20 0.39
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35

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
SCHEMBL9128726 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
Lithium Ion SCHEMBL6832458 0.94
SCHEMBL15771695 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8386165 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8660757 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8747822 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL2322447 0.94
SCHEMBL17512350 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8660240 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL1144908 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109716491-B Method for manufacturing field effect transistor and method for manufacturing wireless communication device 东丽株式会社 2023-06-09 CN disclosed