SCHEMBL8386161

SCHEMBL8386161

CC(C)CCC(=O)[O-].CC(C)CCC(=O)[O-].[Sn+2]

nearest known ligand 0.94

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.94
BBOX1 O75936 2/20 0.56
CA2 P00918 3/20 0.48
FFAR3 O14843 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
GPR84 Q9NQS5 1/20 0.42
NFKB1 P19838 1/20 0.39
FOLH1 Q04609 2/20 0.38

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
SCHEMBL28533314 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
SCHEMBL8741780 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
Lithium Ion SCHEMBL11596365 0.94
SCHEMBL11120607 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
SCHEMBL11597198 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
SCHEMBL8386160 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
Potassium Ion SCHEMBL11596072 0.94
SCHEMBL11595741 0.94 CA1 (0.94) CA1BBOX1CA2FFAR3HDAC3
SCHEMBL11597405 0.94
Silver SCHEMBL28378946 0.94

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646608-B1 POLYISOCYANATE, BLOCKED POLYISOCYANATE AND COATING COMPOSITION ASAHI CHEMICAL IND (JP) 1999-04-21 EP disclosed
US-5817732-A THERMOSETTING COATINGS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-10-06 US disclosed
EP-0646608-A1 POLYISOCYANATE, BLOCKED POLYISOCYANATE AND COATING COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-04-05 EP disclosed