SCHEMBL9687167

SCHEMBL9687167

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 3/20 0.37
ACE P12821 1/20 0.37
FAAH O00519 3/20 0.34
MGLL Q99685 1/20 0.34
ECE1 P42892 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP3A4 P08684 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 2/20 0.31
UCHL1 P09936 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9617147 1.00 CHRM1 (0.38) CHRM1CYP19A1KMT2AACEFAAH
SCHEMBL6399031 0.83 CYP19A1 (0.31) CYP19A1SIGMAR1
SCHEMBL7591812 0.82 CHRM1 (0.40) CHRM1CYP19A1KMT2AFAAHMGLL
SCHEMBL9686556 0.82 UCHL1 (0.44) KMT2AACEECE1CYP3A4POLB
SCHEMBL8833609 0.76 ECE1 (0.38) CHRM1CYP19A1KMT2AFAAHMGLL
SCHEMBL9215980 0.75 ECE1 (0.37) CHRM1CYP19A1KMT2AFAAHMGLL
SCHEMBL8833492 0.75 ECE1 (0.37) CHRM1CYP19A1KMT2AFAAHMGLL
SCHEMBL9220923 0.75 ECE1 (0.36) CHRM1CYP19A1KMT2AECE1MEN1
SCHEMBL9027722 0.75 ECE1 (0.38) CHRM1CYP19A1KMT2AACEFAAH
SCHEMBL8833239 0.75 ECE1 (0.36) CHRM1CYP19A1KMT2AECE1MEN1

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
EP-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed