SCHEMBL9299697

SCHEMBL9299697

CC[Si](C)(C)CCCOc1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
KCNA3 P22001 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
HTR1B P28222 1/20 0.37
LSS P48449 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36

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
SCHEMBL7061116 0.86 KCNA3 (0.44) LTA4HKCNA3CYP1A2CYP2D6CYP19A1
SCHEMBL8967886 0.85 KCNA3 (0.56) LTA4HKCNA3RECQLHTR1BCHRNB2
SCHEMBL9237689 0.85 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL3200931 0.82 LTA4H (0.63) LTA4HKCNA3CYP1A2CYP2D6CYP19A1
SCHEMBL145006 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3
SCHEMBL838064 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3
SCHEMBL12748728 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3
SCHEMBL6276133 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3
SCHEMBL2224932 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3
SCHEMBL4839363 0.78 LTA4H (0.64) LTA4HKCNA3LMNADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618919-A1 IODINIUM SALTS AND METHOD OF PREPARING THEM. WACKER CHEMIE GMBH (DE) 1994-10-12 EP disclosed