SCHEMBL6915247

SCHEMBL6915247

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.43
CASP1 P29466 1/20 0.33
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL6917743 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL6908117 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL6909671 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL6915737 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL6915664 0.94
SCHEMBL30842264 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL6916413 0.94 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL31111129 0.71
SCHEMBL4007241 0.69 CA4 (0.50) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL4276270 0.67

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed