SCHEMBL13720347

SCHEMBL13720347

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)C1OC(=O)CCCCC(=O)OC1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
CHRNA7 P36544 4/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
EPHX2 P34913 1/20 0.41
ABCB1 P08183 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39

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
SCHEMBL13747046 0.88 GAA (0.46) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL28462516 0.82 TSHR (0.57) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL7642945 0.81 TSHR (0.73) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL1138704 0.80 TSHR (0.71) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL22654966 0.79 GAA (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL9314891 0.79 TSHR (0.54) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL14365439 0.78 TSHR (0.68) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL1939153 0.77 KMT2A (0.71) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL20995314 0.77 GAA (0.68) GAATSHRKMT2AMEN1SCN1A
SCHEMBL1138523 0.76 TSHR (0.65) GAATSHRKMT2AMEN1CHRNA7

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-7579411-B2 Process for the controlled increase in the molecular weight of polyethylenes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-08-25 US disclosed
US-20080146740-A1 Process for the controlled increase in the molecular weight of polyethylenes ROTH MICHAEL 2008-06-19 US disclosed