SCHEMBL2541608

SCHEMBL2541608

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
FFAR3 O14843 3/20 0.50
CES2 O00748 6/20 0.48
CES1 P23141 6/20 0.48
CA1 P00915 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
FABP3 P05413 1/20 0.33

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
Potassium Ion SCHEMBL20262527 0.97
SCHEMBL18315393 0.95 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL18204914 0.95 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1035379 0.95
SCHEMBL5692777 0.95 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL18204910 0.95 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
Zinc Ion SCHEMBL18204918 0.95 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
Lithium Ion SCHEMBL18315396 0.95
Carbon Monoxide SCHEMBL3006981 0.90 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
Tetramethylammonium Ion SCHEMBL18230607 0.88 FFAR3 (0.44) HDAC3HDAC1HDAC2HDAC8FFAR3

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
US-20110259419-A1 SOLAR CELL WITH AN IMPROVED PIGMENTED DIELECTRIC REFLECTOR SCHOTT SOLAR AG (DE) 2011-10-27 US disclosed