SCHEMBL8518033

SCHEMBL8518033

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2C(C)C(=O)NCCCCCC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PDE6D O43924 2/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP3 P42574 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR7 P34969 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8378326 0.92 PLG (0.35) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8374713 0.91 KMT2A (0.31) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8378225 0.90 MEN1 (0.35) KMT2AMEN1HTR7
SCHEMBL8517515 0.89 CCR3 (0.40) KMT2AMEN1L3MBTL1
SCHEMBL8375935 0.86 MAPT (0.38) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8517128 0.85 MAPT (0.37) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8373704 0.85 MAPT (0.40) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8378214 0.84 MCHR1 (0.33) KMT2AMEN1POLBL3MBTL1
SCHEMBL8517142 0.81 MAPT (0.38) MAPTALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL8518068 0.81 HDAC3 (0.39)

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-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed