SCHEMBL6690554

SCHEMBL6690554

CC[C@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7763694 0.90 MMP2 (0.47)
SCHEMBL6270651 0.87 MMP2 (0.52)
SCHEMBL15976441 0.80 CA1 (0.46)
SCHEMBL12318665 0.80 CA1 (0.46)
SCHEMBL19538614 0.77 CYP1A2 (0.55) CYP1A2
SCHEMBL19538611 0.77 CYP1A2 (0.55) CYP1A2
SCHEMBL21880677 0.75 MEN1 (0.58) MEN1KMT2A
SCHEMBL12270468 0.75 MEN1 (0.58) MEN1KMT2A
SCHEMBL15976438 0.73
SCHEMBL15976396 0.73

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
WO-2004093860-A1 INHIBITORS OF SARS RELATED CORONAVIRUS PROTEINASE PFIZER INC. (US) 2004-11-04 WO disclosed