SCHEMBL8375936

SCHEMBL8375936

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CCOCCCCCC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.36
HRH2 P25021 1/20 0.35

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
SCHEMBL8377486 0.92 ALDH1A1 (0.37) KMT2AMEN1ADRA1ADRD3MAPT
SCHEMBL8554624 0.92 MAPT (0.39) KMT2AMEN1KCNH2MAPTALDH1A1
SCHEMBL8377057 0.90 MEN1 (0.35) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8378712 0.89 DRD3 (0.39) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8375935 0.86 MAPT (0.38) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8373704 0.85 MAPT (0.40) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL8517128 0.85 MAPT (0.37) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8373739 0.82 BCHE (0.35) HTR1AADRA1ADRD3BCHEHTR2C
SCHEMBL8373804 0.81 HTR1A (0.40) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8377619 0.80 DRD2 (0.36) HTR1AADRA1ADRD3HTR2CHRH1

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 4 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 claimed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
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