SCHEMBL2500451

SCHEMBL2500451

CC(C)COC(=O)CC(C)C.CC(C)COC(=O)CC(C)C.CC(C)COC(=O)CC(C)C.[In]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
PRKCA P17252 2/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.97 TSHR (0.48) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL27259225 0.95 TSHR (0.46) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL28250092 0.89 PRKCA (0.46) TSHRPRKCAMMP1MMP2MMP3
3-Methylbutanoic Acid SCHEMBL5033120 0.89 MMP1 (0.44) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL5033123 0.89 PRKCA (0.42) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL235327 0.85 TSHR (0.46) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL18924794 0.83 PRKCA (0.45) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL9323641 0.83 TSHR (0.50) TSHRPRKCAMMP1MMP2MMP3
SCHEMBL1456508 0.83 TSHR (0.45) TSHRPRKCAALDH1A1TDP1L3MBTL1
SCHEMBL18087555 0.83 TSHR (0.45) TSHRPRKCAALDH1A1TDP1L3MBTL1

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
US-20110244140-A1 METHOD OF MANUFACTURING TRANSPARENT CONDUCTIVE FILM METHOD OF MANUFACTURING TRANSPARENT CONDUCTIVE FILM (JP) 2011-10-06 US disclosed