SCHEMBL6557117

SCHEMBL6557117

CCO[Si](CCCc1ccccc1OC(=O)OC)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.39
PPARD Q03181 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL6930569 0.93 THRA (0.46) MTNR1AMTNR1BTHRATHRBCYP4F2
SCHEMBL6930576 0.86 THRA (0.45) MTNR1AMTNR1BTHRATHRBCYP4F2
SCHEMBL1836879 0.82 THRA (0.57) MTNR1AMTNR1BTHRATHRBHPGD
SCHEMBL6555051 0.82 CYP4F2 (0.37) MTNR1AMTNR1BTHRATHRBCYP4F2
SCHEMBL1836159 0.80 THRA (0.63) MTNR1AMTNR1BTHRATHRBHPGD
SCHEMBL1836108 0.79 THRA (0.66) THRATHRBHPGDKDM4EHSD17B10
SCHEMBL1841440 0.79 THRA (0.66) THRATHRBHPGDKDM4EHSD17B10
SCHEMBL1837530 0.79 THRA (0.66) THRATHRBHPGDKDM4EHSD17B10
SCHEMBL1835055 0.79 THRA (0.66) THRATHRBHPGDKDM4EHSD17B10
SCHEMBL1836935 0.79 THRA (0.66) THRATHRBHPGDKDM4EHSD17B10

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

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