SCHEMBL7873872

SCHEMBL7873872

C=CC(=O)OCCCC[Si](OCCC)(OCCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 4/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 3/20 0.38
MAPK1 P28482 1/20 0.38
THRA P10827 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HCAR2 Q8TDS4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1063249 0.96 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27424756 0.93 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL7803052 0.91 THRB (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL1066699 0.91 THRB (0.48) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL21066707 0.90 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL21066659 0.90 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL1067387 0.87 THRB (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3307221 0.86 HCAR2 (0.40) TSHRALDH1A1CYP3A4LMNANPC1
SCHEMBL27323436 0.86 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL7804589 0.86 THRB (0.48) TSHRHPGDTHRBALDH1A1CYP3A4

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
US-6309708-B1 ORGANOMETALLIC POLYMERS DAIKIN INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed