SCHEMBL6554058

SCHEMBL6554058

CCCC[Si](OC(C)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NAAA Q02083 1/20 0.38
TSHR P16473 3/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 3/20 0.36
EPHX2 P34913 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
SCHEMBL6545706 0.94 NAAA (0.43) PTGS2NAAATSHRCES2CES1
SCHEMBL704041 0.91 L3MBTL1 (0.41) PTGS2L3MBTL1TSHRCES2CES1
SCHEMBL708241 0.91 L3MBTL1 (0.41) PTGS2L3MBTL1TSHRCES2CES1
SCHEMBL707770 0.90 ALDH1A1 (0.39) PTGS2L3MBTL1CES2CES1ALDH1A1
SCHEMBL702608 0.88 ALDH1A1 (0.42) PTGS2L3MBTL1TSHRCES2CES1
SCHEMBL6874699 0.86 TSHR (0.39) L3MBTL1NAAATSHRCES2CES1
SCHEMBL6554056 0.85 NAAA (0.37) L3MBTL1NAAATSHRCES2CES1
SCHEMBL705553 0.85 PTGS2 (0.40) PTGS2L3MBTL1NAAATSHRCES2
SCHEMBL6555670 0.84 KDM4E (0.37) L3MBTL1NAAATSHRCES2CES1
SCHEMBL9295317 0.84 KDM4E (0.47) PTGS2L3MBTL1CES2CES1TDP1

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
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed