SCHEMBL5701522

SCHEMBL5701522

C=Cc1ccc([Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL992478 0.84 ALDH1A1 (0.46) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL1493173 0.80 ESR1 (0.33) ALDH1A1TSHR
SCHEMBL5701828 0.79 TP53 (0.43) ALDH1A1TSHRHDAC8TRPA1TDP1
SCHEMBL18017236 0.78 ESR1 (0.32) ALDH1A1TSHR
SCHEMBL18017240 0.78 ESR1 (0.32) ALDH1A1TSHR
SCHEMBL18017242 0.78 ESR1 (0.32) ALDH1A1TSHR
SCHEMBL18017243 0.78 ESR1 (0.32) ALDH1A1TSHR
SCHEMBL18019496 0.76 ESR1 (0.31)
SCHEMBL31494225 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL5701945 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHDAC8CHRNB2CHRNB4

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