SCHEMBL9380499

SCHEMBL9380499

COc1cc(OC)cc(C2CC2CN(O)C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.60
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
SLC9A1 P19634 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9380504 1.00 ALOX5 (0.60) ALOX5HTR2CHTR2AHTR2BSLC9A1
SCHEMBL7959400 0.87 ALOX5 (0.76) ALOX5HTR2CHTR2AHTR2BSLC9A1
SCHEMBL7959405 0.87 ALOX5 (0.76) ALOX5HTR2CHTR2AHTR2BSLC9A1
SCHEMBL9380414 0.86 ALOX5 (0.58) ALOX5HTR2CHTR2AHTR2BFFAR1
SCHEMBL9380418 0.86 ALOX5 (0.58) ALOX5HTR2CHTR2AHTR2BFFAR1
SCHEMBL9380423 0.84 ALOX5 (0.52) ALOX5
SCHEMBL9380429 0.84 ALOX5 (0.52) ALOX5
SCHEMBL9381471 0.83 ALOX5 (0.58) ALOX5HTR2CHTR2AHTR2BSLC6A2
SCHEMBL9381473 0.83 ALOX5 (0.58) ALOX5HTR2CHTR2AHTR2BSLC6A2
SCHEMBL9381453 0.82 ALOX5 (0.83) ALOX5HTR2CHTR2AHTR2BSLC9A1

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