SCHEMBL29216883

SCHEMBL29216883

C=C(C)C(=O)OCCCCCCC=C(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.37
EP300 Q09472 1/20 0.36
CYP3A4 P08684 1/20 0.35
TBXAS1 P24557 1/20 0.34
FAAH O00519 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 2/20 0.31
CD81 P60033 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
SCHEMBL20745132 0.98 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30854793 0.98 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1512984 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8534212 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29435254 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL35937 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15284904 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8169264 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11302570 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29764188 0.94 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1

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-220963396-U Negative electrode and battery 星欧光学股份有限公司 2024-05-14 CN disclosed