SCHEMBL9053203

SCHEMBL9053203

C=C(CC)C(=O)[O-].C=C(CC)C(=O)[O-].C=C(CC)C(=O)[O-].[Cr+3]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.35
CA4 P22748 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 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
TSHR P16473 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 2/20 0.32
FAHD1 Q6P587 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL4020497 0.97
SCHEMBL18204912 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL10776087 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
Lithium Ion SCHEMBL18315387 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
Lithium Ion SCHEMBL6335954 0.94
SCHEMBL2168923 0.94
Zinc Ion SCHEMBL9065097 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL7910827 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL18315385 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL11155457 0.94 FFAR3 (0.35) FFAR3CA4TDP1ALDH1A1HDAC3

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
WO-1996002053-A1 MAGNETIC TAPE POLGÁRI BANK RT. (HU) 1996-01-25 WO claimed
WO-1996002053-A1 MAGNETIC TAPE POLGÁRI BANK RT. (HU) 1996-01-25 WO disclosed