SCHEMBL5172249

SCHEMBL5172249

CC(C)CCc1cccc(C(=O)O)c1O.CC(C)CCc1cccc(C(=O)O)c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.63
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
ALB P02768 1/20 0.44
MMP2 P08253 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
FOLH1 Q04609 1/20 0.42
HNF4A P41235 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
IAPP P10997 1/20 0.40
CLCN2 P51788 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL568542 1.00 HMGB1 (0.63) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10585932 0.90 HMGB1 (0.59) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8913091 0.88 HMGB1 (0.56) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8912529 0.88 HMGB1 (0.56) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3776783 0.88 HMGB1 (0.56) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6251535 0.88 HMGB1 (0.56) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9500693 0.86 HMGB1 (0.55) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8887185 0.85 HMGB1 (0.65) HMGB1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL442094 0.84 FOLH1 (0.59) HMGB1KDM4EALDH1A1HSD17B10FOLH1
SCHEMBL9338483 0.83 FOLH1 (0.49) HMGB1KDM4EALDH1A1HSD17B10FOLH1

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-1360270-B1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING BLOOMING PERFUME AND BASE MASKING INGREDIENTS PROCTER & GAMBLE (US) 2007-05-16 EP claimed
EP-1360269-B1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING DIACYL PEROXIDE BLEACH AND BLOOMING PERFUME PROCTER & GAMBLE (US) 2005-08-03 EP claimed