SCHEMBL28840762

SCHEMBL28840762

[CH2]CNC(=O)c1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
APEX1 P27695 1/20 0.36
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28841064 0.90 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2APEX1
SCHEMBL18748436 0.76 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2APEX1TSHR
SCHEMBL13521541 0.74 APEX1 (0.64) APEX1KDM4E
SCHEMBL21777135 0.74 KDM4E (0.42) TAS1R3TAS1R1TAS1R2APEX1TSHR
SCHEMBL18784102 0.73 KDM4E (0.41) TAS1R3TAS1R1TAS1R2APEX1KDM4E
SCHEMBL13701621 0.72 KDM4E (0.47) APEX1KDM4ESMN1; SMN2HTT
SCHEMBL15911113 0.70 PDE4D (0.51)
SCHEMBL209839 0.68
SCHEMBL27638503 0.67 L3MBTL1 (0.47) TAS1R3TAS1R1TAS1R2KDM4ESMN1; SMN2
SCHEMBL14435878 0.66 KMT2A (0.34) TAS1R3TAS1R1TAS1R2KDM4ESMN1; 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
CN-115028766-A Supported catalyst system and method of use 埃克森美孚化学专利公司 2022-09-09 CN disclosed