SCHEMBL6701256

SCHEMBL6701256

COc1cc(C=CC(=O)OC([SiH3])(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)C)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HTR1A P08908 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
HTR2C P28335 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
ABCB1 P08183 4/20 0.40
ABCG2 Q9UNQ0 4/20 0.40
ABCC1 P33527 2/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40

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
SCHEMBL6697993 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL4836334 0.78 ABCG2 (0.37) KDM4EHTTLMNACYP1A1CYP1A2
SCHEMBL17459709 0.72 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL17459707 0.72 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL6933713 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL21816997 0.69 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL2433925 0.69 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL2433926 0.69 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL20958569 0.69 KDM4E (0.48) KDM4EALDH1A1HPGDHTR1AHTT
SCHEMBL21816999 0.68 ALOX5 (0.50) KDM4EALDH1A1HPGDHTR1AHTT

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-20040137019-A1 Cosmetic w/o/w emulsion preparation SHISEIDO COMPANY, LTD. (JP) 2004-07-15 US disclosed