SCHEMBL9009705

SCHEMBL9009705

C=CC[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
LPAR3 Q9UBY5 6/20 0.36
LPAR2 Q9HBW0 5/20 0.36
ALDH1A1 P00352 1/20 0.36
LPAR1 Q92633 3/20 0.34
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL4579212 1.00 TSHR (0.43) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL3902659 0.98 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL28979497 0.94 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL29161772 0.94 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL27841978 0.94 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL10845976 0.93 HTT (0.41) TSHRLPAR3LPAR2ALDH1A1THRB
SCHEMBL389689 0.91 TSHR (0.39) TSHRALDH1A1
SCHEMBL28947893 0.90 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LPAR1
SCHEMBL10847978 0.89 HTT (0.46) TSHRLPAR3LPAR2ALDH1A1THRB
SCHEMBL22654174 0.88 TSHR (0.35) TSHRLPAR3LPAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646672-B1 Coated fabrics for air bags WACKER CHEMIE GMBH (DE) 1996-11-06 EP disclosed
EP-0646672-A1 Coated fabrics for air bags Wacker-Chemie GmbH (DE) 1995-04-05 EP disclosed
US-5401566-A Polysiloxane coating WACKER SILICONES CORPORATION (US) 1995-03-28 US disclosed
US-4618389-A ALKENYLTRITHYDROCARBONOXYSILANE SWS SILICONES CORPORATION (US) 1986-10-21 US disclosed
EP-0124865-A2 A process for bonding heat curable silicone rubber to a substrate using an aqueous primer composition Wacker Silicones Corporation (US) 1984-11-14 EP disclosed