SCHEMBL28216925

SCHEMBL28216925

CC(C)OC(=O)[C@@H](NC=S)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12614636 0.83 CA14 (0.50) TSHRCA12CA14SMN1; SMN2
SCHEMBL27486915 0.82 CNR1 (0.40) TSHRCA12CA14HCAR2SMN1; SMN2
SCHEMBL28216922 0.74 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL15074332 0.74 TSHR (0.40) TSHRCA12CA14HCAR2PPARG
SCHEMBL805156 0.74 TSHR (0.40) TSHRCA12CA14HCAR2PPARG
SCHEMBL15074331 0.74 TSHR (0.40) TSHRCA12CA14HCAR2PPARG
SCHEMBL790105 0.72 TSHR (0.39) TSHRCA12CA14HCAR2SMN1; SMN2
SCHEMBL790359 0.72 TSHR (0.39) TSHRCA12CA14HCAR2SMN1; SMN2
SCHEMBL790024 0.72 TSHR (0.39) TSHRCA12CA14HCAR2SMN1; SMN2
SCHEMBL5812167 0.71 TSHR (0.42) TSHRCA12CA14SMN1; SMN2

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
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed