SCHEMBL6936669

SCHEMBL6936669

CC1(C)C=Cc2cc(OCc3ccccc3)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
HIF1A Q16665 5/20 0.49
EPAS1 Q99814 5/20 0.49
TLR3 O15455 1/20 0.49
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
ALOX5 P09917 1/20 0.45
CA5A P35218 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
SCHEMBL10752810 0.82 TLR3 (0.70) HIF1AEPAS1TLR3
SCHEMBL6935054 0.79 HIF1A (0.43) CA12CA1CA9HIF1AEPAS1
SCHEMBL14541294 0.77 HIF1A (0.56) HIF1AEPAS1
SCHEMBL10767556 0.76 MAOB (0.53) CA2TLR3MAOBMAOACA5A
SCHEMBL2009830 0.76 HIF1A (0.52) CA12CA1CA9HIF1AEPAS1
SCHEMBL31253964 0.75 TLR3 (0.42) HIF1AEPAS1TLR3MAOBMAOA
SCHEMBL4552597 0.74 COXFA4 (0.54) HIF1AEPAS1TLR3
SCHEMBL31253973 0.74 MAPT (0.39) HIF1AEPAS1TLR3MAOBMAOA
SCHEMBL4017638 0.74 HIF1A (0.42) CA12CA1CA9HIF1AEPAS1
SCHEMBL6937184 0.74 KCNE1 (0.45) HIF1AEPAS1TLR3MAOBMAOA

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-0913396-B1 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6008245-A TREATMENT OF PROPHYLAXIS AND CARDIOVASCULAR DISORDERS, IN PARTICULAR ARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL DISORDERS, DIARRHEAL DISEASES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-12-28 US disclosed
CN-1218050-A Sulfonamide-substituted benzopyran derivates processes for their preparation, their use as medicament, and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
EP-0913396-A2 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-06 EP disclosed