SCHEMBL9730213

SCHEMBL9730213

CCCOC(C)C(C)C(=O)O

nearest known ligand 0.39

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
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 2/20 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
SCHEMBL9730046 0.87 ALDH1A1 (0.40) HCAR2TP53ACE2CA2MAPK1
SCHEMBL9730225 0.87 ALDH1A1 (0.40) HCAR2TP53ACE2CA2MAPK1
Hydrochloric Acid SCHEMBL10513248 0.85 ALDH1A1 (0.39) HCAR2TP53ACE2CA2MAPK1
Hydrochloric Acid SCHEMBL9730267 0.85 ALDH1A1 (0.39) HCAR2TP53ACE2CA2MAPK1
SCHEMBL9730955 0.84 ACE2 (0.43) HCAR2TP53ACE2GPR84
SCHEMBL9730313 0.84 ACE2 (0.43) HCAR2TP53ACE2GPR84
SCHEMBL9730119 0.84 ACE2 (0.43) HCAR2TP53ACE2GPR84
SCHEMBL9730369 0.81 LMNA (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL566390 0.81 LMNA (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13015783 0.80 HCAR2 (0.36) 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
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed