SCHEMBL9380397

SCHEMBL9380397

NC(=O)N(O)CCC1CC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.62
KDM1A O60341 1/20 0.48
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 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
SCHEMBL9381590 0.89 ALOX5 (0.79) ALOX5ALOX12PTGS1PTGS2KCNH2
SCHEMBL9380468 0.88 ALOX5 (0.54) ALOX5KDM1A
SCHEMBL9380470 0.88 ALOX5 (0.54) ALOX5KDM1A
SCHEMBL9381737 0.87 ALOX5 (0.80) ALOX5KDM1AALOX12PTGS1PTGS2
SCHEMBL9381731 0.87 ALOX5 (0.80) ALOX5KDM1AALOX12PTGS1PTGS2
SCHEMBL9379813 0.86 KCNH2 (0.47) ALOX5KDM1APTGS1PTGS2KCNH2
SCHEMBL9384463 0.85 HTR2C (0.54) ALOX5KDM1A
SCHEMBL9385012 0.83 ALOX5 (0.66) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9381066 0.83 ALOX5 (0.52) ALOX5KCNH2SCN3A
SCHEMBL9380910 0.80 HTR2C (0.51) ALOX5KDM1AKCNH2

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 4 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 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