SCHEMBL21817002

SCHEMBL21817002

COc1cc(/C=C/C(=O)OCCCC[SiH3])cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.64
ABCG2 Q9UNQ0 12/20 0.64
ABCC1 P33527 9/20 0.64
ALOX5 P09917 2/20 0.56
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR1A P08908 1/20 0.55
HPGD P15428 1/20 0.55
HTR2C P28335 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MET P08581 2/20 0.54

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
SCHEMBL21817003 1.00 ABCB1 (0.64) ABCB1ABCG2ABCC1ALOX5GAA
SCHEMBL10610360 0.87 ABCB1 (0.67) ABCB1ABCG2ABCC1ALOX5HTR1A
SCHEMBL10606238 0.87 ABCB1 (0.67) ABCB1ABCG2ABCC1ALOX5HTR1A
SCHEMBL17459720 0.86 ALOX5 (0.67) ABCB1ABCG2ABCC1ALOX5GAA
SCHEMBL17459718 0.86 ALOX5 (0.67) ABCB1ABCG2ABCC1ALOX5GAA
SCHEMBL9440544 0.82 ABCB1 (0.58) ABCB1ABCG2ABCC1ALOX5
SCHEMBL9440564 0.82 ABCB1 (0.58) ABCB1ABCG2ABCC1ALOX5
SCHEMBL22422952 0.81 MET (0.80) ALOX5MET
SCHEMBL9440505 0.81 ABCB1 (0.57) ABCB1ABCG2ABCC1ALOX5
SCHEMBL8772845 0.80 MAOB (0.68) ABCB1ABCG2ABCC1ALOX5GAA

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
WO-2020067417-A1 SURFACE-TREATED METAL OXIDE PARTICLES, LIQUID DISPERSION, COSMETIC, AND METHOD FOR PRODUCING SURFACE-TREATED METAL OXIDE PARTICLES 住友大阪セメント株式会社 2020-04-02 WO disclosed
WO-2020067406-A1 SURFACE-TREATED METAL OXIDE PARTICLES, LIQUID DISPERSION, COMPOSITION, COSMETIC, AND METHOD FOR PRODUCING SURFACE-TREATED METAL OXIDE PARTICLES 住友大阪セメント株式会社 2020-04-02 WO disclosed