SCHEMBL6558561

SCHEMBL6558561

CCS(=O)(=O)N(CC1CC1)C1CC(C)(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 9/20 0.34
KCNQ1 P51787 9/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNA5 P22460 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCND3 Q9UK17 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXA2R P21731 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL6559500 0.91 NPSR1 (0.38) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6558710 0.89 KCNA5 (0.35) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6559927 0.87 KCNA5 (0.41) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6558501 0.85 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6559544 0.82 KCNA5 (0.36) KCNE1KCNQ1KCNA5NPSR1TBXA2R
SCHEMBL7826231 0.82 KCNE1 (0.36) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6560833 0.82 KCNE1 (0.50) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6558072 0.81 SIRT2 (0.33) KCNE1KCNQ1MEN1KMT2ACYP1A2
SCHEMBL6559607 0.80 KCNE1 (0.47) KCNE1KCNQ1MEN1KMT2AKCNA5
SCHEMBL6559205 0.79 SMN1; SMN2 (0.38) KCNE1KCNQ1MEN1KMT2AKCNA5

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-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
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US 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