SCHEMBL28250092

SCHEMBL28250092

CC(C)COC(=O)C(C)C.CC(C)COC(=O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.46
TSHR P16473 4/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.34

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
SCHEMBL128660 0.91 TSHR (0.48) PRKCATSHRMMP1MMP2MMP3
SCHEMBL27259225 0.89 TSHR (0.46) PRKCATSHRMMP1MMP2MMP3
SCHEMBL2500451 0.89 TSHR (0.46) PRKCATSHRMMP1MMP2MMP3
SCHEMBL41548 0.86 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL26658338 0.84 PRKCA (0.53) PRKCAMMP1MMP2MMP3MMP9
3-Methylbutanoic Acid SCHEMBL5033120 0.83 MMP1 (0.44) PRKCATSHRMMP1MMP2MMP3
SCHEMBL5033123 0.83 PRKCA (0.42) PRKCATSHRMMP1MMP2MMP3
SCHEMBL16017785 0.82 MMP1 (0.42) PRKCAMMP1MMP2MMP3MMP9
Isopropyl Alcohol SCHEMBL28680436 0.81 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL15491409 0.80 TSHR (0.43) PRKCATSHRMMP1MMP2MMP3

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-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed