SCHEMBL27642913

SCHEMBL27642913

C=C(C)C(N)=O.C=CC(=O)NCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
DNM1 Q05193 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TGM2 P21980 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 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
Methacrylic Acid SCHEMBL28850506 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRZDHHC20
SCHEMBL27346 0.88 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1TSHRZDHHC20
SCHEMBL9238864 0.86 TDP1 (0.50) ALDH1A1TDP1MAPK1TSHRZDHHC20
Hydrochloric Acid SCHEMBL2804444 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1TSHRZDHHC20
Bicarbonate SCHEMBL9017531 0.84 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1TSHRZDHHC20
Chloromethane SCHEMBL1099332 0.84 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1TSHRZDHHC20
SCHEMBL27769991 0.83 ALDH1A1 (0.33) ALDH1A1TDP1MAPK1TSHRZDHHC20
Allylamine SCHEMBL5391992 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1TSHRZDHHC20
SCHEMBL8037505 0.82 ALDH1A1 (0.67) ALDH1A1TDP1MAPK1TSHRZDHHC20
SCHEMBL11172218 0.81 ZDHHC20 (0.65) ALDH1A1TDP1MAPK1TSHRZDHHC20

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
CN-1889986-B Wound dressings and methods 3M INNOVATION CO LTD 2010-06-16 CN disclosed
CN-1889986-A Wound dressings and methods 3M INNOVATIVE PROPERTIES CO (US) 2007-01-03 CN disclosed