SCHEMBL5701481

SCHEMBL5701481

C=CC(=O)OCCCCC(O[SiH3])(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
THRB P10828 2/20 0.39
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5701878 0.97 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5701929 0.87 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL393549 0.84 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5701336 0.83 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5701435 0.82 ATM (0.39) TSHRHPGDATMHCAR2MAPT
SCHEMBL5701477 0.78 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL20555650 0.78 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5701408 0.77 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8864051 0.76 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4903687 0.75 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510520-B1 Preparation of branched siloxane SHINETSU CHEMICAL CO (JP) 2006-07-26 EP disclosed
US-6943264-B2 Preparation of branched siloxane SHIN-ETSU CHEMICAL, CO., LTD. (JP) 2005-09-13 US disclosed
US-20050049427-A1 Preparation of branched siloxane SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1510520-A1 Preparation of branched siloxane Shin-Etsu Chemical Co., Ltd. (JP) 2005-03-02 EP disclosed