SCHEMBL28376231

SCHEMBL28376231

C=C(C)C(=O)OC1CCCC(C)C1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 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
SCHEMBL2219959 0.83 CYP19A1 (0.39) TSHRALDH1A1EPHX1
SCHEMBL15083631 0.80 ALDH1A1 (0.34) TSHRALDH1A1EPHX1
SCHEMBL151295 0.80 CYP19A1 (0.42) TSHRALDH1A1EPHX1
SCHEMBL10524835 0.79 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL1536314 0.79 EPHX1 (0.33) EPHX1
SCHEMBL4771757 0.79 EPHX1 (0.33) EPHX1
SCHEMBL15083645 0.79 EPHX1 (0.35) TSHRALDH1A1EPHX1
SCHEMBL23494225 0.78 CYP19A1 (0.41) TSHRALDH1A1EPHX1
SCHEMBL8713295 0.78 PKM (0.31)
SCHEMBL15083643 0.76 EPHX1 (0.38) TSHRALDH1A1EPHX1

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-106999895-B Coated microcapsules 诺赛尔股份有限公司 2020-04-07 CN disclosed