SCHEMBL10896262

SCHEMBL10896262

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.42
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
CA1 P00915 1/20 0.32
BBOX1 O75936 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
SCHEMBL4324906 0.95 CA4 (0.48) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL4957927 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL2349658 0.78 CA4 (0.37) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL15022121 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL7316948 0.78 CA4 (0.57) CA4FFAR3HDAC3HDAC1HDAC2
Silver SCHEMBL17797184 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
Lithium Ion SCHEMBL18321792 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL4777919 0.78 FFAR3 (0.41) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL6818429 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL7157352 0.76 CES2 (0.42) CA1

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-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed