SCHEMBL5243353

SCHEMBL5243353

C#CC(OCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL15483258 0.82 LTA4H (0.41) L3MBTL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL8692714 0.81 THRB (0.40) LMNAKMT2AMIFADRA2ATSHR
SCHEMBL8536881 0.80 L3MBTL1 (0.43) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL9165582 0.80 L3MBTL1 (0.43) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL27836981 0.80 TSHR (0.42) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL18845452 0.80 L3MBTL1 (0.39) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL1200547 0.80 TSHR (0.42) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL9165581 0.80 L3MBTL1 (0.43) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL16864534 0.80 SLC6A2 (0.45) HTTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL28249657 0.78 LMNA (0.46) L3MBTL1LMNAMEN1KMT2ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP claimed
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 US disclosed