SCHEMBL13974641

SCHEMBL13974641

COCCOCCOCCOC(=O)c1cccc(C(=O)OCCOCCOCCOC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
ABCB11 O95342 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2B P18089 1/20 0.52
OPRD1 P41143 1/20 0.52
SCN5A Q14524 1/20 0.52
SERPINE1 P05121 2/20 0.50
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ROCK2 O75116 1/20 0.44

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
SCHEMBL17798298 0.95 TSHR (0.61) TSHRSMN1; SMN2SERPINE1LMNAMEN1
SCHEMBL13642472 0.94 SMN1; SMN2 (0.51) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B
SCHEMBL15430829 0.91 L3MBTL1 (0.52) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B
SCHEMBL23471094 0.88 TSHR (0.54) TSHRSMN1; SMN2SERPINE1LMNAMEN1
SCHEMBL9927399 0.88 TSHR (0.54) TSHRSMN1; SMN2SERPINE1LMNAMEN1
SCHEMBL16248436 0.88 TSHR (0.62) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B
SCHEMBL17932907 0.88 TSHR (0.62) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B
SCHEMBL1372828 0.88 TSHR (0.62) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B
SCHEMBL17798243 0.86 SMN1; SMN2 (0.68) TSHRSMN1; SMN2SERPINE1LMNAMEN1
Hydrochloric Acid SCHEMBL28152832 0.86 TSHR (0.61) TSHRSMN1; SMN2ABCB11CYP3A4ADRA2B

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-7479516-B2 Nanocomposites and methods thereto ZYVEX PERFORMANCE MATERIALS, LLC (US) 2009-01-20 US disclosed
US-20070265379-A1 NANOCOMPOSITES AND METHODS THERETO ZYVEX CORPORATION (US) 2007-11-15 US disclosed