SCHEMBL5701775

SCHEMBL5701775

C=CC(=O)NC(C)C.C=CC(=O)NCOCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ACACB O00763 2/20 0.38
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
KMT2A Q03164 1/20 0.33
TGM2 P21980 3/20 0.31
EPHX1 P07099 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
SCHEMBL34047 0.88
Acrylic Acid SCHEMBL5788775 0.82 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ether SCHEMBL8375535 0.82 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15640202 0.80 TSHR (0.72) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15499219 0.80 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21776911 0.78 TSHR (0.75) TSHRALDH1A1MAPK1TDP1ZDHHC20
Alcohol SCHEMBL28153354 0.78 TSHR (0.82) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27799665 0.78 TSHR (1.00) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15072 0.78
SCHEMBL19656088 0.77 TSHR (0.67) TSHRALDH1A1MAPK1TDP1ZDHHC20

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
EP-1697479-A1 METHOD FOR PRODUCING ACRYLIC FUSIBLE ADHESIVES Tesa AG (DE) 2006-09-06 EP disclosed
WO-2005059052-A1 METHOD FOR PRODUCING ACRYLIC FUSIBLE ADHESIVES TESA AG (DE) 2005-06-30 WO disclosed