SCHEMBL13168166

SCHEMBL13168166

CC(COC(=O)C(C)C)COC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
MAPT P10636 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.32
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL2147398 0.88 TSHR (0.34) TSHRMAPT
SCHEMBL4755925 0.88 ALOX15 (0.42) TSHRMAPTCA1CA2CA9
SCHEMBL12414729 0.87 MAPT (0.48) TSHRMAPTALDH1A1ELANEALOX15
SCHEMBL12181012 0.87 TSHR (0.35) TSHRMAPT
SCHEMBL6060785 0.87 MAPT (0.48) TSHRMAPTALDH1A1ELANEALOX15
SCHEMBL14534385 0.86 ALDH1A1 (0.35) TSHRMAPTALDH1A1ALOX15
SCHEMBL31349332 0.85 MAPT (0.32) TSHRMAPTALDH1A1
SCHEMBL1233110 0.85 TSHR (0.33) TSHRMAPTALDH1A1NPC1
SCHEMBL13168165 0.84 PRKCA (0.48) POLB
SCHEMBL28515824 0.83 TSHR (0.42) TSHRMAPTCA1CA2

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
US-7795347-B2 Multi-branched polymer, process for producing the same, and applications thereof MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed