SCHEMBL7668396

SCHEMBL7668396

COC(CCO)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP12 P39900 1/20 0.34
MAPT P10636 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 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
SCHEMBL13635219 0.82 TDP1 (0.39) ALDH1A1TDP1MMP12MGAMGAA
SCHEMBL15679706 0.82 MMP12 (0.49) ALDH1A1MMP12MAPT
SCHEMBL1772274 0.81
SCHEMBL14066244 0.81 ZDHHC7 (0.43) MAPT
SCHEMBL29008705 0.80 ALDH1A1 (0.37) ALDH1A1TDP1MMP12MGAMGAA
SCHEMBL22834423 0.80 MMP12 (0.33) ALDH1A1MMP12MAPT
SCHEMBL10024040 0.79 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL8319170 0.79 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL30684 0.77
SCHEMBL14093847 0.77 ALDH1A1 (0.34) ALDH1A1TDP1MMP12

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-6500600-B1 HEAT SENSITIVE COMPOSITION OF POSITIVE TYPE COMPRISING POLYMERIC BINDER AND, AS SOLUBILITY INHIBITOR, DERIVATIVE OF HYDROXYLATED ACRYLIC POLYMER OR COPOLYMER HAVING SOME HYDROXY GROUPS ESTERIFIED WITH CARBOXYLIC ACID OR REACTIVE DERIVATIVE LASTRA S.P.A. (IT) 2002-12-31 US disclosed