SCHEMBL5701873

SCHEMBL5701873

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.38
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 3/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL347533 0.92 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30181501 0.88 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5701473 0.87 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL393548 0.86 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7715703 0.86 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL71730 0.86 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL534868 0.84 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
Ethylene SCHEMBL22126280 0.84 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28323519 0.84 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL441818 0.84 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53

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