SCHEMBL21148403

SCHEMBL21148403

COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL24400257 1.00 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21148174 1.00 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21148406 1.00 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21556176 1.00 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21148169 1.00 TSHR (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL15468449 0.95 TSHR (0.35) TSHRCA12CA1CA2CA9
SCHEMBL10066324 0.95 TSHR (0.35) TSHRCA12CA1CA2CA9
SCHEMBL24056618 0.93 ALDH1A1 (0.33) TSHR
SCHEMBL26040431 0.87 TSHR (0.31) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL19185360 0.86 ALDH1A1 (0.46) TSHR

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-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
US-20190209740-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-07-11 US disclosed