SCHEMBL8946737

SCHEMBL8946737

CCCCOCC(=O)OC(=O)COCCCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
TSHR P16473 3/20 0.46
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.40
DGKA P23743 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4B P0C869 2/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL28356701 0.96 CES2 (0.50) CES2TSHRNAAAALDH1A1ATM
SCHEMBL8946740 0.89 CES2 (0.53) CES2TSHRNAAAALDH1A1ATM
SCHEMBL28685290 0.85 ALDH1A1 (0.48) CES2TSHRNAAAALDH1A1DGKA
SCHEMBL16726790 0.84 CES2 (0.58) CES2NAAAALDH1A1DGKAPLA2G4B
SCHEMBL1059079 0.84 CES2 (0.52) CES2TSHRNAAAALDH1A1ATM
SCHEMBL1055702 0.84 ALDH1A1 (0.54) CES2TSHRNAAAALDH1A1ATM
SCHEMBL6551929 0.82 CES2 (0.50) CES2TSHRNAAAALDH1A1ATM
SCHEMBL546058 0.82 CES2 (0.50) CES2TSHRNAAAALDH1A1ATM
SCHEMBL7053966 0.82 CES2 (0.50) CES2TSHRNAAAALDH1A1ATM
SCHEMBL1056775 0.82 CES2 (0.50) CES2TSHRNAAAALDH1A1ATM

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
US-5545349-A Bleaching composition KAO CORPORATION (JP) 1996-08-13 US disclosed
EP-0447553-B1 BLEACHING COMPOSITION KAO CORP (JP) 1996-06-12 EP disclosed