SCHEMBL28634889

SCHEMBL28634889

CC(C)=CCN1CCNC(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 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
SCHEMBL1243795 0.79 HDAC3 (0.37) KMT2AMEN1SMN1; SMN2GFERPOLB
SCHEMBL15348022 0.75 ALDH1A1 (0.31) POLBALDH1A1
SCHEMBL27967528 0.75 POLB (0.35) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL1277501 0.75 MEN1 (0.37) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL11388691 0.74 KDM4E (0.38) KMT2AMEN1SMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL28569637 0.73 MEN1 (0.36) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL22700978 0.72 DPP4 (0.35) DPP4KMT2APOLBALDH1A1
SCHEMBL13624432 0.72 KMT2A (0.43) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL10384849 0.71 GAA (0.36) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL28919237 0.71 POLB (0.34) KMT2AMEN1SMN1; SMN2POLBALDH1A1

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-108913672-B Novel isopentene transferase and application thereof 中国海洋大学 2021-10-01 CN disclosed