SCHEMBL6555053

SCHEMBL6555053

CCO[Si](CCCc1c(C)cccc1OC(=O)O)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
PPARD Q03181 2/20 0.33
PTGS2 P35354 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL1836878 0.82 NCEH1 (0.44) KDM4EPPARGPPARAPPARDPTGS2
SCHEMBL6930576 0.81 THRA (0.45) PPARGPPARAPTGS2
SCHEMBL1836158 0.80 PPARA (0.48) KDM4EPPARGPPARAPTGS2MCL1
SCHEMBL1836739 0.80 CXCR5 (0.41) KDM4EPPARGPPARASLC22A12POLB
SCHEMBL1836104 0.79 PPARA (0.50) PPARGPPARAPTGS2MCL1
SCHEMBL1836934 0.79 PPARA (0.50) PPARGPPARAPTGS2MCL1
SCHEMBL1837528 0.79 PPARA (0.50) PPARGPPARAPTGS2MCL1
SCHEMBL1835054 0.79 PPARA (0.50) PPARGPPARAPTGS2MCL1
SCHEMBL1841439 0.79 PPARA (0.50) PPARGPPARAPTGS2MCL1
SCHEMBL48020 0.77 SLC22A12 (0.40) TDP1KDM4EPPARGSLC22A12POLB

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-1214327-B1 BLOCKED PHENYLALKYL SILANES CROMPTON CORP (US) 2004-02-25 EP claimed
EP-1214327-B1 BLOCKED PHENYLALKYL SILANES CROMPTON CORP (US) 2004-02-25 EP disclosed