SCHEMBL7758100

SCHEMBL7758100

CCCC(CCC)CC(=O)O[SiH3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP3A4 P08684 3/20 0.34
TSHR P16473 3/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL705408 0.87 CYP3A4 (0.46) TDP1CYP3A4TSHRCA1CA2
SCHEMBL7059564 0.81 CYP3A4 (0.34) TDP1CYP3A4TSHRATMRECQL
SCHEMBL7758103 0.80 ALDH1A1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7758151 0.80 TSHR (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11356150 0.79 TSHR (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4075525 0.77 ALDH1A1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27946508 0.77 TSHR (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20981460 0.77 HDAC1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13506382 0.74 TSHR (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL24571120 0.74 CYP2D6 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085022-A1 A method of manufacturing an acyloxysilane compound having functional groups bonded to silicon atoms via Si-C- bonds Dow Corning Asia, Ltd. (JP) 2001-03-21 EP disclosed
US-6060620-A Method for manufacturing an acyloxysilane compound having functional groups bonded to silicon atoms via SI--C bonds DOW CORNING ASIA, LTD. (JP) 2000-05-09 US disclosed