SCHEMBL9379802

SCHEMBL9379802

CC(C1CC1c1ccc(OCc2ccccc2)cc1)N(O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.61
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL9379807 1.00 ALOX5 (0.61) ALOX5KDM1AMAOAMAOBKCNH2
SCHEMBL9380392 0.85 ALOX5 (0.80) ALOX5KDM1AKCNH2PARP10
SCHEMBL9380387 0.85 ALOX5 (0.80) ALOX5KDM1AKCNH2PARP10
SCHEMBL7959760 0.83 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL9383867 0.83 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL9381959 0.83 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL7959761 0.83 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL9381059 0.81 ALOX5 (0.61) ALOX5KCNH2
SCHEMBL9381063 0.81 ALOX5 (0.61) ALOX5KCNH2
SCHEMBL9382010 0.77 ALOX5 (0.60) ALOX5

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