SCHEMBL8517431

SCHEMBL8517431

CCO[Si](CCC(CC)C(=O)O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
MAPK1 P28482 1/20 0.48
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
GCLC P48506 2/20 0.35
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL3913376 0.86 USP2 (0.34) CA2MAPK1USP2TSHRCA1
SCHEMBL21402802 0.85 FOLH1 (0.47) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL9174327 0.82 CHRM1 (0.34) CA2MAPK1CHRM1AKR1A1CHRM3
2-Ethylhexanoic Acid SCHEMBL8166134 0.80 CA2 (0.57) CA2MAPK1SLC1A3SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL19638402 0.80 CA2 (0.57) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL29656995 0.76 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3907735 0.76 CA2 (0.39) CA2MAPK1USP2TSHRCA1
SCHEMBL475633 0.75 FOLH1 (0.44) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8959221 0.74 TDP1 (0.33) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL3911473 0.74 CA2 (0.38) CA2MAPK1USP2TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001739-A Method of manufacturing a semiconductor device TOKYO ELECTRON LIMITED (JP) 1999-12-14 US disclosed