SCHEMBL28036839

SCHEMBL28036839

CCCN(CCC[Si](OCC)(OCC)OCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CA1 P00915 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
TP53 P04637 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
SCHEMBL7061683 0.93 CA12 (0.40) CA12CA9ALDH1A1HPGDSMN1; SMN2
SCHEMBL4359796 0.93 CA12 (0.31) CA12CA9CA1
SCHEMBL17473125 0.88
SCHEMBL443029 0.88 LMNA (0.36) CA12CA9ALDH1A1HPGDCA1
SCHEMBL28036930 0.84 LMNA (0.36) CA12CA9CA2ALDH1A1HPGD
SCHEMBL28900909 0.83 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL22579085 0.83 KDM4E (0.31) SMN1; SMN2
SCHEMBL28471594 0.83 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL5916941 0.83 LMNA (0.35) CA12CA9ALDH1A1CA1TSHR
SCHEMBL17187425 0.82

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-105121012-A Composition for the production of silicone rubber compositions NITROCHEMIE GMBH 2015-12-02 CN disclosed
CN-105026040-A Composition for preparing silicone rubber material NITROCHEMIE GMBH 2015-11-04 CN disclosed