SCHEMBL18753239

SCHEMBL18753239

C=CC(=O)NC[C@H](CC)OC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ACACB O00763 2/20 0.33
HPGD P15428 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
SCHEMBL24492199 0.81 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17347984 0.81 TSHR (0.37) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3685199 0.80 TSHR (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12835743 0.78 KISS1R (0.33)
SCHEMBL10781839 0.75 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL827371 0.75 CTSK (0.35) TSHRALDH1A1
SCHEMBL799424 0.74 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755020 0.74 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2125085 0.72 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17183684 0.72 TSHR (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156033-A1 DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed