SCHEMBL9380717

SCHEMBL9380717

COc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
APP P05067 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
ACHE P22303 1/20 0.41
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40

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
SCHEMBL9380715 1.00 ALOX5 (0.58) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9381675 0.92 ALOX5 (0.53) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9381668 0.92 ALOX5 (0.53) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9385603 0.91 ALOX5 (0.55) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9385597 0.91 ALOX5 (0.55) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9380794 0.91 ALOX5 (0.55) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9380788 0.91 ALOX5 (0.55) ALOX5APPPDE4APDE4BPDE4C
SCHEMBL9382144 0.90 KDM1A (0.54) ALOX5SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL9382148 0.90 KDM1A (0.54) ALOX5SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL9381617 0.90 ALOX5 (0.54) ALOX5APPSLC6A2SLC6A4SLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed