SCHEMBL6560822

SCHEMBL6560822

CC1(C)CC(=O)c2cc(OCCCC(F)(F)F)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.62
ALDH1A1 P00352 13/20 0.62
GAA P10253 10/20 0.62
HPGD P15428 8/20 0.62
GLA P06280 6/20 0.62
HSD17B10 Q99714 4/20 0.62
CASP1 P29466 3/20 0.62
CASP7 P55210 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.53
MAOB P27338 6/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL6935038 0.86 KDM4E (0.69) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6558667 0.83 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6558676 0.83 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6086547 0.77 KDM4E (0.59) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6086511 0.76 KDM4E (0.65) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL10610580 0.76 MAOB (0.67) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6604268 0.76 MAOB (0.82) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9825262 0.75 MAOB (0.67) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4010310 0.74 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL10609734 0.74 MAOB (0.67) KDM4EALDH1A1GAAHPGDGLA

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-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
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-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US 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
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
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed