SCHEMBL6858828

SCHEMBL6858828

CCCCOCC(=O)C=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
HCAR2 Q8TDS4 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.38
PLA2G4B P0C869 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
PAM P19021 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
SCHEMBL18213965 0.81 TSHR (0.53) CES2ATMTSHRALDH1A1HPGD
SCHEMBL8813093 0.77 CES2 (0.44) CES2ATMTSHRALDH1A1HPGD
SCHEMBL5772685 0.77
SCHEMBL7862056 0.77 CES2 (0.58) CES2ATMTSHRALDH1A1HPGD
SCHEMBL6842297 0.75
SCHEMBL14501390 0.75
SCHEMBL1478517 0.75
SCHEMBL24207 0.75
SCHEMBL8380874 0.75
SCHEMBL20083250 0.74 CES2 (0.60) CES2TSHRALDH1A1HPGDHCAR2

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-6790818-B2 A FOAMING HAND DISHWASHING COMPOSITION COMPRISING A HYDROPHOBIC POLYETHER HAVING MOLECULAR WEIGHT OF >500 AS LONG AS THE SOAP BUILDER IS <5% BY WEIGHT; HIGH SPEED DISSOLVING; CLEANING HARD SURFACES PROCTER & GAMBLE COMPANY 2004-09-14 US disclosed