SCHEMBL8554624

SCHEMBL8554624

CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2CCOCCCCCCc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HTR7 P34969 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL8375936 0.92 KMT2A (0.39) MAPTALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL8553197 0.85 HTR2A (0.40) MAPTALDH1A1MEN1KMT2AKCNH2
SCHEMBL8439022 0.84 MAPT (0.42) MAPTALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL8377486 0.83 ALDH1A1 (0.37) MAPTALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL8622466 0.82 HTR7 (0.40) MAPTALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL8377057 0.81 MEN1 (0.35) MEN1KMT2ABCHEKCNH2
SCHEMBL8378712 0.80 DRD3 (0.39) MEN1KMT2AKCNH2
SCHEMBL8555803 0.79 HRH3 (0.41)
SCHEMBL8440478 0.77 ALDH1A1 (0.41) ALDH1A1HSP90AA1MEN1KMT2APOLB
SCHEMBL8772501 0.77 KMT2A (0.44) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed