SCHEMBL5677016

SCHEMBL5677016

CC(C)OC(=O)C1(O[C]=O)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL7199934 0.78 TSHR (0.33) TSHR
SCHEMBL10922421 0.75 SMN1; SMN2 (0.36)
SCHEMBL645146 0.75 CYP19A1 (0.36)
SCHEMBL18547473 0.73 SMN1; SMN2 (0.36)
SCHEMBL9052834 0.73 CYP19A1 (0.33)
SCHEMBL9123239 0.73 CTSK (0.33)
SCHEMBL383938 0.72 CYP2C19 (0.35)
SCHEMBL16086439 0.72 TSHR (0.39) TSHR
SCHEMBL10087896 0.71 FFAR3 (0.37) TSHR
SCHEMBL6623048 0.70 CYP2C19 (0.40)

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
EP-1611086-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-04 EP disclosed
WO-2004089876-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO disclosed