SCHEMBL11372184

SCHEMBL11372184

CCOC(=O)[C]=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MMP8 P22894 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
SCHEMBL11372177 1.00 MEN1 (0.54) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL4340138 0.83 MEN1 (0.51) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL6246458 0.83 MAPT (0.55) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6248197 0.83 MAPT (0.55) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6246459 0.83 MAPT (0.55) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6249973 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL6249968 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL20109332 0.76 MEN1 (0.51) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL10918591 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL28841505 0.75 MEN1 (0.58) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2

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
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed