SCHEMBL5134635

SCHEMBL5134635

CC1(C)OB(c2ccoc2C(N)=O)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
LIPG Q9Y5X9 6/20 0.35
LPL P06858 5/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
P4HB P07237 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3076866 0.72 ALDH1A1 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL31023154 0.72 ALDH1A1 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL2723964 0.72 LPL (0.40) F11LIPGLPLCA1CA2
SCHEMBL826713 0.72 LPL (0.40) F11LIPGLPLCA1CA2
SCHEMBL22886631 0.71 LPL (0.39) F11LIPGLPLCA1CA2
SCHEMBL14746261 0.70 LPL (0.36) LIPGLPLCA1CA2CA9
SCHEMBL16238349 0.70 F11 (0.36) F11F2PRSS1PRSS2PRSS3
SCHEMBL2825036 0.70 F11 (0.36) F11F2PRSS1PRSS2PRSS3
SCHEMBL2029210 0.69 JAK2 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL1347543 0.69 MAPK14 (0.39) F11F2PRSS1PRSS2PRSS3

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-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO disclosed