SCHEMBL11213620

SCHEMBL11213620

[CH2]CN(C(N)=O)C(=O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALOX5 P09917 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 4/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL11465945 0.75 CES2 (0.50) CES2CES1ALOX5HTTNPSR1
SCHEMBL11465943 0.75 CES2 (0.50) CES2CES1ALOX5HTTNPSR1
SCHEMBL27558432 0.72 CES2 (0.47) CES2CES1HTTNPSR1PTPN1
SCHEMBL11814801 0.72 POLB (0.48) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL11684645 0.71 NPC1 (0.46) CES2CES1HTTNPSR1PTPN1
Hydrochloric Acid SCHEMBL11684658 0.71 L3MBTL1 (0.48) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL60741 0.71
SCHEMBL5201425 0.71 CES2 (0.54) CES2CES1HTTNPSR1PTPN1
SCHEMBL11635127 0.70 L3MBTL1 (0.50) HTTNPSR1PTPN1ALDH1A1POLB
SCHEMBL743549 0.70 CES2 (0.58) CES2CES1HTTNPSR1PTPN1

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
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed