SCHEMBL9729757

SCHEMBL9729757

CN(O)C(=O)C1=Cc2cc(Oc3ccccc3)ccc2OC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.72
ALOX12 P18054 2/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59

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
SCHEMBL9730986 0.85 ALOX5 (0.64) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729874 0.84 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9730606 0.80 ALOX5 (0.70) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729599 0.79 ALOX5 (1.00) ALOX5
SCHEMBL9731620 0.78 ALOX5 (0.56) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729579 0.77 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729918 0.75 ALOX5 (1.00) ALOX5ALOX12
SCHEMBL9730598 0.75 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729863 0.75 ALOX5 (0.77) ALOX5ALOX12PTGS1PTGS2
SCHEMBL6008413 0.74 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed