SCHEMBL9047102

SCHEMBL9047102

C=COC(=O)N[C@@H](CC(C)C)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.52
TAS1R1 Q7RTX1 9/20 0.52
BIRC2 Q13490 1/20 0.44
POLB P06746 1/20 0.44
NOS3 P29474 5/20 0.44
NOS1 P29475 5/20 0.44
NOS2 P35228 5/20 0.44
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9052342 0.86 TAS1R3 (0.40) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL9052340 0.86 TAS1R3 (0.40) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL11434953 0.82 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL7751184 0.82 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL7269272 0.82 TAS1R3 (0.51) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL7269277 0.82 TAS1R3 (0.51) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL21367972 0.79 TAS1R3 (0.55) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL29820642 0.79 TAS1R3 (0.55) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL23256186 0.75 TAS1R3 (0.50) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL56907 0.75 CTSL (0.60) TAS1R3TAS1R1BIRC2POLBFOLH1

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
JP-8127564-A None JP disclosed
JP-H08127564-A N-VINYLOXYCARBONYL-LEUCINE ALKYL ESTER, ITS PRODUCTION AND POLYMER THEREFROM AIBAITSU KK 1996-05-21 JP disclosed