SCHEMBL5570

SCHEMBL5570

CC1(C)OB(c2ccc(CCCC(N)=O)cc2)OC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.63
LPL P06858 8/20 0.63
F11 P03951 3/20 0.60
F2 P00734 2/20 0.60
PRSS1 P07477 2/20 0.60
PRSS2 P07478 2/20 0.60
PRSS3 P35030 2/20 0.60
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ESR2 Q92731 1/20 0.43
P4HB P07237 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
SCHEMBL15189791 0.92 LIPG (0.61) LIPGLPLF11F2PRSS1
SCHEMBL2151053 0.88 LIPG (0.63) LIPGLPLF11F2PRSS1
SCHEMBL31752440 0.85 LIPG (0.60) LIPGLPLF11F2PRSS1
SCHEMBL24641134 0.85 LIPG (0.56) LIPGLPLF11F2PRSS1
SCHEMBL19511152 0.84 LIPG (0.58) LIPGLPLF11F2PRSS1
SCHEMBL15025955 0.84 LIPG (0.86) LIPGLPLF11F2PRSS1
SCHEMBL514356 0.83 F11 (0.60) LIPGLPLF11F2PRSS1
SCHEMBL133316 0.82 LIPG (0.87) LIPGLPLF11F2PRSS1
SCHEMBL23960089 0.82 LIPG (0.59) LIPGLPLF11F2PRSS1
SCHEMBL902460 0.81 LIPG (0.69) LIPGLPLF11F2PRSS1

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-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed