SCHEMBL807035

SCHEMBL807035

CCCOC(=O)C(C)(CC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
GRM1 Q13255 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18560733 0.90 MMP8 (0.41) MMP8
SCHEMBL25007448 0.89 ALDH1A1 (0.42) MMP8HCAR2ALDH1A1LMNAESR1
SCHEMBL14421136 0.85 MMP8 (0.38) MMP8ALDH1A1TSHR
SCHEMBL1867004 0.85 GRM1 (0.35) MMP8GRM1HCAR2ALDH1A1LMNA
SCHEMBL17325884 0.84 CHRM2 (0.38) MMP8ALDH1A1LMNACHRM1TSHR
SCHEMBL12608203 0.84 MMP8 (0.37) MMP8
SCHEMBL13344641 0.84 MMP8 (0.37) MMP8
SCHEMBL16883003 0.82 MMP8 (0.36) MMP8
SCHEMBL17325882 0.82 CHRM2 (0.48) ALDH1A1LMNACHRM1TSHR
SCHEMBL18516835 0.81 GRM1 (0.34) MMP8GRM1HCAR2ALDH1A1LMNA

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
WO-2012036315-A1 METHOD OF FORMING PATTERN FUJIFILM CORPORATION (JP) 2012-03-22 WO disclosed
EP-1972641-A2 Resist composition and pattern-forming method using same FUJIFILM Corporation (JP) 2008-09-24 EP disclosed