SCHEMBL1002086

SCHEMBL1002086

CCC(CO)(CO)COC(=O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL813200 0.97 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL813176 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL9436665 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL16981966 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL812755 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL14581394 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL14581393 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL14076147 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL2161090 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTADRB2
SCHEMBL16248466 0.81 TP53 (0.39) ALDH1A1HTTMAPTTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171223-B Sulfur-containing silanes, filled elastomer compositions containing same, and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-04-20 CN disclosed
EP-2310397-B1 SULFUR-CONTAINING SILANE, FILLED ELASTOMERIC COMPOSITIONS CONTAINING SAME AND ARTICLES MADE THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2012-12-12 EP disclosed
EP-2310397-A1 SULFUR-CONTAINING SILANE, FILLED ELASTOMERIC COMPOSITIONS CONTAINING SAME AND ARTICLES MADE THEREFROM Momentive Performance Materials Inc. (US) 2011-04-20 EP disclosed
US-20110021692-A1 Sulfur-Containing Silane, Filled Elastomeric Compositions Containing Same And Articles Made Therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-01-27 US disclosed
US-7786200-B2 Sulfur-containing silane, filled elastomeric compositions containing same and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-08-31 US disclosed
US-20100029817-A1 Sulfur-containing silane, filled elastomeric compositions containing same and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. 2010-02-04 US disclosed
WO-2010014238-A1 SULFUR-CONTAINING SILANE, FILLED ELASTOMERIC COMPOSITIONS CONTAINING SAME AND ARTICLES MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-02-04 WO disclosed