SCHEMBL6938486

SCHEMBL6938486

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.57
KCNQ1 P51787 5/20 0.57
KCNH2 Q12809 1/20 0.57
TLR3 O15455 1/20 0.41
MAOB P27338 3/20 0.40
PPARA Q07869 3/20 0.37
PTPN1 P18031 2/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
MAOA P21397 1/20 0.35
CACNA1B Q00975 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARD Q03181 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
SCHEMBL6559235 0.86 KCNE1 (0.52) KCNE1KCNQ1KCNH2MAOBPPARA
SCHEMBL6559231 0.79 KCNE1 (0.52) KCNE1KCNQ1KCNH2MAOBPPARA
SCHEMBL6559307 0.79 KCNE1 (0.59) KCNE1KCNQ1KCNH2MAOB
SCHEMBL6937137 0.76 KCNE1 (0.55) KCNE1KCNQ1TLR3MAOBMAOA
SCHEMBL6936890 0.75 KCNE1 (0.58) KCNE1KCNQ1KCNH2MAOBPPARA
SCHEMBL4011395 0.75 TLR3 (0.42) KCNE1KCNQ1TLR3CTSDBACE1
SCHEMBL6931989 0.73 KCNE1 (0.68) KCNE1KCNQ1KCNH2MAOB
SCHEMBL6560822 0.73 KDM4E (0.62) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL6558676 0.73 KDM4E (0.45) KCNE1KCNQ1KCNH2MAOBALDH1A1
SCHEMBL6558667 0.73 KDM4E (0.45) KCNE1KCNQ1KCNH2MAOBALDH1A1

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 3 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
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