SCHEMBL28294714

SCHEMBL28294714

C=C(C)C(=O)OCCCC(CCCCCCCCCCCCCC)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
THRB P10828 1/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
FDPS P14324 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
EPHX1 P07099 1/20 0.36
CA2 P00918 1/20 0.36
SMPD1 P17405 3/20 0.35
GPR84 Q9NQS5 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
SCHEMBL651158 0.85 TSHR (0.51) TSHRTHRBZDHHC7FDPSALDH1A1
SCHEMBL28204135 0.83 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3717075 0.83 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3694457 0.83 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22318914 0.83 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28240290 0.82 TSHR (0.70) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28384552 0.82 TSHR (0.70) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28330018 0.82 TSHR (0.70) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL28903015 0.82 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8169202 0.81 TSHR (0.80) TSHRTHRBPOLBAPEX1HTT

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