SCHEMBL28058764

SCHEMBL28058764

CCCCc1cccc(C(C(C)(C)C)S(=O)(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
ELANE P08246 6/20 0.41
CTSG P08311 4/20 0.41
IAPP P10997 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYSLTR2 Q9NS75 7/20 0.39
CYSLTR1 Q9Y271 7/20 0.39
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 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
SCHEMBL7787188 0.84 CYSLTR2 (0.51) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL7779162 0.84 CYSLTR2 (0.51) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL28058694 0.76 GABRA1 (0.57) GABRA1GABRB2
SCHEMBL9167839 0.76 ALOX5 (0.50) ALOX5PTGS2ELANECTSGIAPP
SCHEMBL2672714 0.76 GABRA1 (0.55) ALOX5PTGS2ELANECTSGIAPP
SCHEMBL1023094 0.75 GABRA1 (0.71) ALOX5PTGS2ELANECTSGIAPP
SCHEMBL10794693 0.73 ALOX5 (0.47) ALOX5PTGS2IAPPCYSLTR2CYSLTR1
SCHEMBL13410217 0.73 TSHR (0.50) ALOX5PTGS2ELANECTSGIAPP
SCHEMBL201764 0.73 ALOX5 (0.61) ALOX5PTGS2ELANECTSGIAPP
SCHEMBL27568883 0.72 ALOX5 (0.41) ALOX5PTGS2ELANECTSGIAPP

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
CN-104470985-B The manufacture method of polymer composition and polymer composition BRIDGESTONE CO.,LTD. (JP) 2016-05-18 CN disclosed