SCHEMBL2851113

SCHEMBL2851113

COc1c(C=CC(=O)O[SiH2]O[Si](C)(C)C)cc(CCC(C)C)c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL22070142 0.82 ALOX5 (0.37) ALOX5LMNATDP1NFKB1NFKB2
SCHEMBL21625542 0.81 ALOX5 (0.39) ALOX5LMNATDP1NFKB1NFKB2
SCHEMBL2290706 0.79 ALOX5 (0.43) ALOX5LMNANFKB1NFKB2RELA
SCHEMBL28460175 0.70 LMNA (0.49) LMNATDP1AKR1B10AKR1B1
SCHEMBL4017041 0.69 KDM4E (0.34) ALOX5TDP1NFKB1NFKB2RELA
SCHEMBL910611 0.64 MAP3K7 (0.39) LMNATDP1MAP3K7TAB1
SCHEMBL5505151 0.62 CA12 (0.37) LMNATDP1
SCHEMBL536156 0.61 LMNA (0.57) LMNATDP1AKR1B10AKR1B1
SCHEMBL536158 0.61 LMNA (0.57) LMNATDP1AKR1B10AKR1B1
SCHEMBL27632834 0.61 LMNA (0.57) ALOX5LMNATDP1AKR1B10AKR1B1

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-20100278760-A1 Cosmetics SHISEIDO COMPANY,LTD. (JP) 2010-11-04 US disclosed