SCHEMBL6856706

SCHEMBL6856706

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
GOPC Q9HD26 1/20 0.45
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 2/20 0.41
PDK2 Q15119 1/20 0.41
APEX1 P27695 1/20 0.39
S100A4 P26447 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29392072 0.78 MEN1 (0.67) CFTRGOPCTHRBTDP1LMNA
SCHEMBL129053 0.78 MEN1 (0.67) CFTRGOPCTHRBTDP1LMNA
SCHEMBL7314557 0.76 CFTR (0.33) CFTRGOPCTHRBTDP1LMNA
SCHEMBL14122566 0.76 MEN1 (0.71) CFTRGOPCTHRBTDP1LMNA
SCHEMBL30516188 0.76 MEN1 (0.71) CFTRGOPCTHRBTDP1LMNA
SCHEMBL23935998 0.75 MEN1 (0.44) TDP1LMNAMAPTKDM4EMEN1
SCHEMBL23936199 0.75 MEN1 (0.44) TDP1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL304931 0.74 CFTR (0.42) CFTRGOPCTHRBTDP1LMNA
SCHEMBL813078 0.74 THRB (0.52) CFTRGOPCTHRBTDP1LMNA
SCHEMBL15780146 0.74 CFTR (0.42) CFTRGOPCTHRBTDP1LMNA

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-1290041-B1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M INNOVATIVE PROPERTIES CO (US) 2004-05-19 EP disclosed
US-6559237-B1 Sulfonated aromatic perfluorocyclobutane polymers meeting a condition selected from: a) the equivalent weight of the polymer is 5000 or less, and b) the proton conductivity of the polymer at 25 degrees C. is 0.01 Siemens per centimeter (S/cm) 3M INNOVATIVE PROPERTIES COMPANY 2003-05-06 US disclosed
EP-1290041-A1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M Innovative Properties Company (US) 2003-03-12 EP disclosed
WO-2001094427-A1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-13 WO disclosed