SCHEMBL8771135

SCHEMBL8771135

C=C(CC)C(=O)OCOC(=O)CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
TSHR P16473 3/20 0.32

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
SCHEMBL2210522 0.82 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5697565 0.82 TSHR (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28063807 0.82 ALDH1A1 (0.42) GAAALDH1A1TDP1THRBTSHR
SCHEMBL13876121 0.79 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL623936 0.78 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2184225 0.78 MGAM (0.63) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14003419 0.76 MGAM (0.60) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11291992 0.76 ALOX15 (0.44) ALDH1A1THRBTSHR
SCHEMBL6578505 0.76 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26811663 0.76 THRB (0.56) ALDH1A1TDP1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572977-B1 Bilirubin assay using crosslinkable polymers JOHNSON & JOHNSON CLIN DIAG (US) 1997-08-13 EP disclosed
US-5286450-A Binding bilirubin withnordant dye dispersed in polymer having primary amine or halogen group-containing monomer; colorimetric analysis EASTMAN KODAK COMPANY (US) 1994-02-15 US disclosed
EP-0572977-A1 Bilirubin assay using crosslinkable polymers Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed