SCHEMBL13814624

SCHEMBL13814624

Cc1ccc(Oc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGS2 P35354 7/20 0.55
PTGS1 P23219 3/20 0.54
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
TEAD4 Q15561 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.47

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
SCHEMBL2758531 1.00 HTT (0.63) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL2758532 0.94 PTGS2 (0.58) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL19105488 0.94 HTT (0.73) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL20149706 0.94 PTGS2 (0.58) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL12708896 0.94 PTGS2 (0.58) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL23153426 0.94 HTT (0.73) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL10016733 0.94 HTT (0.73) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL11547843 0.91 HTT (0.58) HTTSMN1; SMN2PTGS2PTGS1ALDH1A1
SCHEMBL19341781 0.89 HTT (0.53) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL9888806 0.89 HTT (0.67) HTTSMN1; SMN2TDP1L3MBTL1PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550216-B2 Composite solid polymer electrolyte membranes FOSTER-MILLER, INC. (US) 2009-06-23 US disclosed