SCHEMBL28294683

SCHEMBL28294683

C=C(C)C(=O)OCCC(CCCCCCCCCCCCCCC)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
THRB P10828 1/20 0.44
FAAH O00519 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
ABCB1 P08183 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 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
SCHEMBL650573 0.94 TSHR (0.73) TSHRTHRBFAAHGPR84FFAR1
SCHEMBL649199 0.94 TSHR (0.57) TSHRTHRBFAAHPOLBAPEX1
SCHEMBL4384013 0.84 TSHR (0.53) TSHRTHRBFAAHGPR84FFAR1
SCHEMBL11526952 0.83 TSHR (0.64) TSHRTHRBFAAHGPR84ZDHHC7
SCHEMBL866131 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB
SCHEMBL9658227 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB
SCHEMBL651728 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB
SCHEMBL2912477 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB
SCHEMBL7736289 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB
SCHEMBL651327 0.81 TSHR (0.77) TSHRTHRBFAAHZDHHC7POLB

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
CN-109880671-A A kind of high viscosity index improver and its preparation method and application 一汽解放汽车有限公司 2019-06-14 CN disclosed