SCHEMBL1867004

SCHEMBL1867004

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MMP8 P22894 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13293539 0.89 ALDH1A1 (0.45) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL807035 0.85 MMP8 (0.41) GRM1HCAR2ALDH1A1MMP8LMNA
SCHEMBL18516835 0.85 GRM1 (0.34) GRM1HCAR2ALDH1A1MMP8LMNA
SCHEMBL17617208 0.83 MMP8 (0.46) ALDH1A1MMP8LMNATSHR
SCHEMBL10244061 0.83 MMP8 (0.46) ALDH1A1MMP8LMNATSHR
SCHEMBL13793843 0.82
SCHEMBL15035243 0.80 GRM1 (0.32) GRM1HCAR2MMP8
SCHEMBL23992705 0.80 CHRM2 (0.43) ALDH1A1LMNACHRM1TSHR
SCHEMBL23198648 0.79 GRM1 (0.37) GRM1HCAR2ALDH1A1MMP8LMNA
SCHEMBL13113068 0.79 THRB (0.51) ALDH1A1TSHR

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
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed