SCHEMBL8155489

SCHEMBL8155489

CC(CC(=O)O)OCC[O]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 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
SCHEMBL7932807 0.82 SLC22A6 (0.35) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3788751 0.82 GPR84 (0.36) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL9472210 0.82 SLC22A6 (0.35) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28956447 0.80 ALDH1A1 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL21520585 0.80 CACNA2D1 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL16877098 0.80 CACNA2D1 (0.36) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL10777880 0.79
Hydrochloric Acid SCHEMBL6828027 0.78 CACNA2D1 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL2015252 0.78 GPR84 (0.42) SLC22A6TDP1
SCHEMBL28521529 0.78 GPR84 (0.42) SLC22A6TDP1

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-6041157-A Environmentally sensitive compositions of matter based on 3H-fluoren-3-ylidenes and process for making same GOETZ FREDERICK JAMES (US) 2000-03-21 US disclosed