SCHEMBL28398484

SCHEMBL28398484

CC1(C)OB(c2cnn(CCCN)c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
LPL P06858 9/20 0.35
LIPG Q9Y5X9 9/20 0.35
F11 P03951 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL21275456 0.91 FFAR1 (0.60) FFAR1LPLLIPGF11IRAK4
SCHEMBL17247560 0.86 FFAR1 (0.58) FFAR1LPLLIPGF11IRAK4
SCHEMBL1854359 0.85 FFAR1 (0.61) FFAR1LPLLIPGF11IRAK4
SCHEMBL2511129 0.84 FFAR1 (0.60) FFAR1LPLLIPGF11IRAK4
SCHEMBL23812347 0.84 FFAR1 (0.56) FFAR1LPLLIPG
SCHEMBL22748460 0.84 FFAR1 (0.56) FFAR1LPLLIPG
SCHEMBL9281960 0.84 FFAR1 (0.59) FFAR1LPLLIPGF11IRAK4
SCHEMBL1331340 0.83 FFAR1 (0.61) FFAR1LPLLIPGF11IRAK4
SCHEMBL9280646 0.83 FFAR1 (0.61) FFAR1LPLLIPGF11IRAK4
SCHEMBL25293264 0.82 FFAR1 (0.58) FFAR1LPLLIPGF11IRAK4

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
CN-111201021-A Chroman monocyclic β -lactams for use in the treatment of bacterial infections 默沙东公司 2020-05-26 CN disclosed