SCHEMBL28459307

SCHEMBL28459307

C/C=C/C(=O)NCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRA1A P35348 1/20 0.47
PRMT1 Q99873 1/20 0.45
PLA2G4A P47712 1/20 0.43
APEX1 P27695 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
EPHX2 P34913 5/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL20657261 1.00 KMT2A (0.49) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL20657255 0.94 ADRA1A (0.55) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL22200049 0.92 ADRA1A (0.58) POLBADRA1APRMT1PLA2G4AAPEX1
SCHEMBL9829252 0.92 ADRA1A (0.58) POLBADRA1APRMT1PLA2G4AAPEX1
SCHEMBL28416594 0.92 ADRA1A (0.58) POLBADRA1APRMT1PLA2G4AAPEX1
SCHEMBL9829255 0.92 ADRA1A (0.58) POLBADRA1APRMT1PLA2G4AAPEX1
SCHEMBL20657235 0.88 ECE1 (0.42) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL19272321 0.85 CNR2 (0.46) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL21610956 0.85 APEX1 (0.49) KMT2AALDH1A1MAPTKDM4EAPEX1
SCHEMBL22187118 0.83 APEX1 (0.51) ALDH1A1MAPTKDM4EAPEX1TAAR1

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-106822983-B Developable embolism microsphere for treating tumor diseases by minimally invasive intervention therapy and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2020-09-15 CN disclosed