SCHEMBL17577957

SCHEMBL17577957

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.51
TAS1R1 Q7RTX1 8/20 0.51
NOS3 P29474 5/20 0.51
NOS1 P29475 5/20 0.51
NOS2 P35228 5/20 0.51
BIRC2 Q13490 3/20 0.47
FOLH1 Q04609 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL701037 0.96 NOS3 (0.50) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL701038 0.96 NOS3 (0.50) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL701039 0.96 NOS3 (0.50) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL6675526 0.94 NOS3 (0.49) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL17559257 0.85 PLA2G2A (0.51) TAS1R3TAS1R1FOLH1
SCHEMBL17559259 0.85 PLA2G2A (0.51) TAS1R3TAS1R1FOLH1
SCHEMBL5272358 0.81 PLA2G2A (0.54) SMN1; SMN2
SCHEMBL15285201 0.80 PLA2G2A (0.56) SMN1; SMN2
SCHEMBL6673373 0.80 PLA2G2A (0.56) SMN1; SMN2
SCHEMBL6674099 0.80 PLA2G2A (0.56) SMN1; SMN2

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
WO-2016037072-A2 ENOPEPTIN ANALOGAS AND METHODS OF USE THEREOF BROWN UNIVERSITY (US) 2016-03-10 WO disclosed