SCHEMBL13747657

SCHEMBL13747657

C=C1CC(OC(C)=O)CC(C)(C)N1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.30
DPP4 P27487 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
SCHEMBL14066587 0.81 NAAA (0.45) KMT2AMEN1GAA
SCHEMBL14066744 0.81 KMT2A (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12829912 0.81 KMT2A (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL14066739 0.77 TSHR (0.30) TSHRKMT2A
SCHEMBL1138567 0.72 KMT2A (0.63) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13245888 0.72 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12829913 0.71 CYP2D6 (0.33) TSHRKMT2AGAA
SCHEMBL13747192 0.71 FLT3 (0.31) TSHR
SCHEMBL14224298 0.71
SCHEMBL15987036 0.70 KMT2A (0.54) TSHRKMT2AALDH1A1ESR1HSD17B10

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