SCHEMBL7557425

SCHEMBL7557425

C[Si](C)(C)OCC1CCC(CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
LRRK2 Q5S007 1/20 0.32
CYP2D6 P10635 1/20 0.32
APLNR P35414 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL8512652 0.88
SCHEMBL9189874 0.88 SLC1A3 (0.30)
SCHEMBL926420 0.79 FKBP1A (0.33) LRRK2
SCHEMBL1147997 0.79 FKBP1A (0.33) LRRK2
SCHEMBL24719157 0.77 TDP1 (0.42)
SCHEMBL8412793 0.77
SCHEMBL5481201 0.76 SLC1A3 (0.36)
SCHEMBL20511474 0.73 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL8616249 0.73 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL8768946 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358574-B1 CROSSLINKED POLYSILOXANES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-03-19 US disclosed
EP-1016703-B1 Liquid crystalline silicones with improved UV stability CONSORTIUM ELEKTROCHEM IND (DE) 2002-02-06 EP disclosed
EP-1016703-A1 Liquid crystalline silicones with improved UV stability Consortium für elektrochemische Industrie GmbH (DE) 2000-07-05 EP disclosed