SCHEMBL5737140

SCHEMBL5737140

CCCCCCCc1ccccc1CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.62
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
CYSLTR2 Q9NS75 6/20 0.49
CYSLTR1 Q9Y271 6/20 0.49
KCNH2 Q12809 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
SCHEMBL6682171 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10601540 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL27564782 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL6065358 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL9697706 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL6686137 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL8509012 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10863585 1.00 LIPG (0.62) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL1372464 0.98 LIPG (0.59) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL1343771 0.93 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed