SCHEMBL9380423

SCHEMBL9380423

COc1cc(C2CC2CN(O)C(N)=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
TUBB4A P04350 8/20 0.43
TUBB P07437 8/20 0.43
TUBA3C P0DPH7 8/20 0.43
TUBA1B P68363 8/20 0.43
TUBA4A P68366 8/20 0.43
TUBB4B P68371 8/20 0.43
TUBB3 Q13509 8/20 0.43
TUBB2A Q13885 8/20 0.43
TUBB8 Q3ZCM7 8/20 0.43
TUBA3E Q6PEY2 8/20 0.43
TUBA1A Q71U36 8/20 0.43
TUBA1C Q9BQE3 8/20 0.43
TUBB6 Q9BUF5 8/20 0.43
TUBB2B Q9BVA1 8/20 0.43
TUBB1 Q9H4B7 8/20 0.43
ACHE P22303 2/20 0.38
PTPN1 P18031 1/20 0.38
PTAFR P25105 3/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL9380429 1.00 ALOX5 (0.52) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9381663 0.92 ALOX5 (0.47) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9381670 0.92 ALOX5 (0.47) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9380715 0.87 ALOX5 (0.58) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9380717 0.87 ALOX5 (0.58) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9380499 0.84 ALOX5 (0.60) ALOX5
SCHEMBL9380504 0.84 ALOX5 (0.60) ALOX5
SCHEMBL9385603 0.84 ALOX5 (0.55) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9385597 0.84 ALOX5 (0.55) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9381668 0.82 ALOX5 (0.53) ALOX5MAPK1TSHRSMN1; SMN2

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