SCHEMBL9750609

SCHEMBL9750609

CC(C)CO[Ti+2].CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HAO1 Q9UJM8 1/20 0.30
CA4 P22748 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
SCHEMBL1361325 0.84 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1133603 0.84 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30345194 0.83 HDAC3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL8701446 0.83 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361328 0.81 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1360823 0.81 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30704753 0.81 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30537484 0.80 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361659 0.78 FFAR3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
Isobutanol SCHEMBL30912227 0.78 HDAC3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8

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-5032660-A Polysiloxanes, titanium-phosphate organic curing agent TIOXIDE GROUP PLC (GB) 1991-07-16 US disclosed