SCHEMBL9730957

SCHEMBL9730957

CCC(C)CCOC(C)C(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9730213 0.79 TDP1 (0.36) ACE2CA2MAPK1CHRM1AKR1A1
SCHEMBL566390 0.79 LMNA (0.39) ACE2CA2MAPK1CHRM1AKR1A1
SCHEMBL9730369 0.79 LMNA (0.39) ACE2CA2MAPK1CHRM1AKR1A1
Hydrochloric Acid SCHEMBL9730110 0.77 LMNA (0.38) ACE2CA2MAPK1CHRM1AKR1A1
SCHEMBL9730046 0.76 ALDH1A1 (0.40) ACE2CA2MAPK1
SCHEMBL9730225 0.76 ALDH1A1 (0.40) ACE2CA2MAPK1
SCHEMBL9509853 0.76 ACE2 (0.42) ACE2CA2MAPK1CHRM1AKR1A1
SCHEMBL9729861 0.75 HSD17B10 (0.33) TDP1
Hydrochloric Acid SCHEMBL9730267 0.74 ALDH1A1 (0.39) ACE2CA2MAPK1
Hydrochloric Acid SCHEMBL10513248 0.74 ALDH1A1 (0.39) ACE2CA2MAPK1

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