Sugi Predict

Sugi Predict / Compounds / SCHEMBL15901822

SCHEMBL15901822

SCHEMBL15901822

CCCC(=O)CC(=O)OOC(C)C.CCCC(=O)CC(=O)OOC(C)C.CCCC(=O)CC(=O)OOC(C)C.CCCC(=O)CC(=O)OOC(C)C.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].[Ti+4]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 2/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 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
SCHEMBL7509947 0.97 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL483263 0.97 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4134314 0.97 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2475707 0.90 ALDH1A1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL29613313 0.88 ALDH1A1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL124651 0.88 ALDH1A1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL31434634 0.88 ALDH1A1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30462935 0.88 ALDH1A1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4138225 0.84 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6138473 0.84 FFAR3 (0.34) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137848-A1 SILICA COMPOSITE PARTICLES AND METHOD OF PREPARING THE SAME FUJI XEROX CO., LTD. (JP) 2016-05-19 — — US claimed
US-9243145-B2 Silica composite particles and method of preparing the same FUJI XEROX CO., LTD. (JP) 2016-01-26 — — US claimed
US-20140212667-A1 SILICA COMPOSITE PARTICLES AND METHOD OF PREPARING THE SAME FUJIFILM BUSINESS INNOVATION CORP. (JP) 2014-07-31 — — US claimed
US-20160137848-A1 SILICA COMPOSITE PARTICLES AND METHOD OF PREPARING THE SAME FUJI XEROX CO., LTD. (JP) 2016-05-19 — — US disclosed
US-9243145-B2 Silica composite particles and method of preparing the same FUJI XEROX CO., LTD. (JP) 2016-01-26 — — US disclosed
US-20140212667-A1 SILICA COMPOSITE PARTICLES AND METHOD OF PREPARING THE SAME FUJIFILM BUSINESS INNOVATION CORP. (JP) 2014-07-31 — — US disclosed