SCHEMBL5025836

SCHEMBL5025836

CCOc1c[c]ccc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
PTPRC P08575 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
TTK P33981 3/20 0.38
MAPK8 P45983 3/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
DRD1 P21728 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL29194955 0.81 ABL1 (0.42) NR1H2NR1H3LOXL2BRD4CREBBP
SCHEMBL730864 0.77 CYP1A1 (0.45) CYP2C9LMNA
SCHEMBL6525290 0.77 ADRB2 (0.41) PTPRC
SCHEMBL17165959 0.74 FAAH (0.42) NR1H2NR1H3LOXL2CTSSCTSK
SCHEMBL20360670 0.73 FAAH (0.48) NR1H2NR1H3PTGDR2LOXL2BRD4
SCHEMBL7650568 0.71 KCNH2 (0.42) NR1H2NR1H3LOXL2CTSSCTSK
SCHEMBL145847 0.71 NR1H2 (0.45) NR1H2NR1H3LOXL2CTSSCTSK
SCHEMBL29196085 0.70 ALDH1A1 (0.44) PTPRC
SCHEMBL8088891 0.69 ALDH1A1 (0.35) PTPRCPTGDR2LMNAPOLB
SCHEMBL6243674 0.68 KCNH2 (0.50) NR1H2NR1H3LOXL2CTSSCTSK

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-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed