SCHEMBL7757228

SCHEMBL7757228

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.38
VCAM1 P19320 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
LOX P28300 1/20 0.36
MAPK1 P28482 1/20 0.35
NCF1 P14598 1/20 0.35
DGAT1 O75907 1/20 0.35
GFER P55789 1/20 0.34
DUT P33316 2/20 0.34

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
SCHEMBL8571742 0.83 VCAM1 (0.37) ALDH1A1TSHRSMN1; SMN2L3MBTL1VCAM1
SCHEMBL7757769 0.82 VCAM1 (0.36) ALDH1A1TSHRSMN1; SMN2L3MBTL1VCAM1
SCHEMBL1978010 0.80 SMN1; SMN2 (0.37) ALDH1A1TSHRSMN1; SMN2VCAM1NCF1
SCHEMBL16283948 0.75 LOX (0.45) ALDH1A1TSHRSMN1; SMN2L3MBTL1LOX
SCHEMBL7757753 0.74 MAPK1 (0.49) SMN1; SMN2MAPK1NCF1
SCHEMBL1975417 0.73 TSHR (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL1975415 0.73 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2L3MBTL1VCAM1
SCHEMBL10351454 0.72 CA2 (0.42) DUT
SCHEMBL13343449 0.71 VCAM1 (0.51) ALDH1A1TSHRSMN1; SMN2L3MBTL1VCAM1
SCHEMBL4000005 0.70 MAPK1 (0.42) TSHRMAPK1DUT

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-0716091-B1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-03-21 EP disclosed
US-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0716091-A1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-06-12 EP disclosed