SCHEMBL4145593

SCHEMBL4145593

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

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
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 1/20 0.31
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
SCHEMBL4138222 0.88 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL29904875 0.87 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4619662 0.87 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL31434548 0.87 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30534806 0.87 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4142433 0.85 CA1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5973893 0.85 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4145592 0.84 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7261745 0.82 CA1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL487723 0.82 CA1 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214796-A1 Method for Forming Antireflection Film MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2009-08-27 US disclosed
EP-1890172-A1 METHOD FOR FORMING ANTIREFLECTION FILM Hitachi Chemical Co., Ltd. (JP) 2008-02-20 EP disclosed