SCHEMBL8517142

SCHEMBL8517142

CCOC(=O)c1ccc(CNS(=O)(=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
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE6D O43924 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C19 P33261 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTT P42858 1/20 0.34
KDM1A O60341 1/20 0.34
EPHX2 P34913 1/20 0.34
S1PR3 Q99500 1/20 0.34
CASP3 P42574 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL8546932 0.90 CYP2C19 (0.39) TSHRKMT2AALDH1A1CYP2C19KDM1A
SCHEMBL8518033 0.81 MAPT (0.38) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL8378326 0.74 PLG (0.35) MAPTKMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL8374713 0.73 KMT2A (0.31) MAPTKMT2AMEN1ALDH1A1PDE6D
SCHEMBL8378225 0.70 MEN1 (0.35) KMT2AMEN1
SCHEMBL8517515 0.69 CCR3 (0.40) KMT2AMEN1
SCHEMBL8543310 0.69 ALDH1A1 (0.36) TSHRKMT2AALDH1A1
SCHEMBL8373704 0.69 MAPT (0.40) MAPTTSHRKMT2AMEN1POLB
SCHEMBL8375935 0.68 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL8517128 0.67 MAPT (0.37) MAPTKMT2AMEN1ALDH1A1HSP90AA1

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