SCHEMBL28463603

SCHEMBL28463603

C=C(NC(C)=O)c1ccc(OCCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PLK1 P53350 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ACACB O00763 9/20 0.50
MAPT P10636 2/20 0.49
AGTR1 P30556 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRK1 P41145 1/20 0.49
UBE2N P61088 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL28472389 0.94 TP53 (0.54) HTTKDM4ESMN1; SMN2PLK1L3MBTL1
SCHEMBL28459280 0.91 TP53 (0.59) HTTKDM4ESMN1; SMN2L3MBTL1TSHR
SCHEMBL28467015 0.87 KMT2A (0.56) KDM4EPLK1ACACBMAPTMEN1
SCHEMBL28459281 0.82 MEN1 (0.67) HTTKDM4ESMN1; SMN2PLK1L3MBTL1
SCHEMBL7733569 0.78 MAPT (0.59) SMN1; SMN2PLK1MAPTALOX15
SCHEMBL9781935 0.78 L3MBTL1 (0.56) HTTKDM4ESMN1; SMN2PLK1L3MBTL1
SCHEMBL1442973 0.78 L3MBTL1 (0.78) HTTKDM4ESMN1; SMN2PLK1L3MBTL1
SCHEMBL28861868 0.77 ELANE (0.53) HTTSMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL28462599 0.77 MEN1 (0.60) KDM4ESMN1; SMN2PLK1MAPTCYP2C19
SCHEMBL7632695 0.76 L3MBTL1 (0.74) HTTKDM4ESMN1; SMN2PLK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN claimed
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN disclosed