SCHEMBL22100322

SCHEMBL22100322

C=C(C(N)=O)C(=O)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
TAS2R38 P59533 1/20 0.44
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL6021242 0.80 TDP1 (0.60) CRBNTDP1TAS2R38LMNAALOX15
SCHEMBL1160845 0.78
SCHEMBL4477680 0.74
SCHEMBL2746559 0.74 CRBN (0.52) CRBNTDP1TAS2R38LMNAALOX15
SCHEMBL7132886 0.74
SCHEMBL139723 0.73
SCHEMBL13788471 0.73
SCHEMBL9635955 0.71 CRBN (0.53) CRBNTAS2R38LMNAALOX15BLM
SCHEMBL29225960 0.70 CRBN (0.41) CRBNTDP1TAS2R38KDM4ECA2
Acetamide SCHEMBL10955861 0.70 CRBN (0.42) CRBNTDP1TAS2R38LMNAALOX15

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-2020118933-A1 NOVEL POLYCYCLIC COMPOUND 优缔新材料科技(苏州)有限公司 2020-06-18 WO disclosed