SCHEMBL10656377

SCHEMBL10656377

C=CC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 3/20 0.41
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL14175495 0.92 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL17069795 0.91 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7761501 0.90 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL14330279 0.89 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9764152 0.89 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL26430366 0.89 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9763730 0.88 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL18504299 0.87 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL12775025 0.86 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL332090 0.86 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM

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-4743667-A ACRYLATED SILOXXANES, OXYGEN PERMEABLE NIPPON CONTACT LENS, INC. (JP) 1988-05-10 US disclosed