SCHEMBL28502292

SCHEMBL28502292

CCCCCCCCCCCCCCCCCCc1ccsc1C(=S)SSC(=S)c1sccc1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TYR P14679 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 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
SCHEMBL28497574 1.00 LIPG (0.39) LIPGGPR35TYRTP53CYP3A4
SCHEMBL28905105 1.00 LIPG (0.39) LIPGGPR35TYRTP53CYP3A4
SCHEMBL28510615 1.00 LIPG (0.39) LIPGGPR35TYRTP53CYP3A4
SCHEMBL979606 0.83 LIPG (0.40) LIPGGPR35TYRTP53CYP3A4
SCHEMBL586816 0.83 LIPG (0.40) LIPGGPR35TYRTP53CYP3A4
SCHEMBL4538570 0.82 GPR35 (0.41) LIPGGPR35TYRTP53CYP3A4
SCHEMBL4436638 0.78 GPR35 (0.57) GPR35CYSLTR2CYSLTR1LTB4RBID
SCHEMBL8516407 0.78 GPR35 (0.57) GPR35CYSLTR2CYSLTR1LTB4RBID
SCHEMBL7474906 0.78 GPR35 (0.57) GPR35CYSLTR2CYSLTR1LTB4RBID
SCHEMBL17353545 0.78 GPR35 (0.57) GPR35CYSLTR2CYSLTR1LTB4RBID

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-108659732-B Adhesive composition, adhesive sheet, and optical member 综研化学股份有限公司 2021-01-15 CN disclosed