SCHEMBL27728337

SCHEMBL27728337

CCCCCCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1CC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
APP P05067 5/20 0.49
MET P08581 3/20 0.45
AKR1B10 O60218 3/20 0.45
AKR1B1 P15121 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 2/20 0.44
ABCC1 P33527 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL8445260 0.82 APP (0.57) APPMETAKR1B10AKR1B1KDM4E
SCHEMBL2394283 0.80 PKM (0.54) ALOX5APPKDM4EALDH1A1
SCHEMBL1259788 0.78 NFE2L2 (0.41) ALOX5APPMETALDH1A1ABCB1
SCHEMBL1885609 0.78 AKR1B10 (0.52) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL1885606 0.78 AKR1B10 (0.52) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL10606238 0.77 ABCB1 (0.67) ALOX5APPABCB1ABCC1ABCG2
SCHEMBL10610360 0.77 ABCB1 (0.67) ALOX5APPABCB1ABCC1ABCG2
SCHEMBL2226672 0.77 NFE2L2 (0.60) ALOX5APPKDM4EALDH1A1
SCHEMBL466048 0.76 KDM4E (0.71) APPAKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL8872479 0.76 KDM4E (0.71) APPAKR1B10AKR1B1KDM4EALDH1A1

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
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN claimed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed