SCHEMBL1593300

SCHEMBL1593300

CCCCCc1csc2c(CCCCC)csc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 3/20 0.38
CYP3A4 P08684 3/20 0.38
TYR P14679 2/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 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
PTGS2 P35354 3/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34

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
SCHEMBL2280270 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL1156507 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL1413219 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL14351403 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL3557466 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL1156794 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL1593206 0.98 GPR35 (0.53) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL27817547 0.96 GPR35 (0.51) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL2279352 0.88 GPR35 (0.51) GPR35LIPGALOX5CYP3A4TYR
SCHEMBL14478039 0.88 GPR35 (0.47) GPR35LIPGALOX5CYP3A4TYR

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
US-7919573-B2 Polymer having thieno[3,2-b] thiophene moieties XEROX CORPORATION (US) 2011-04-05 US disclosed
US-20070112171-A1 Polymer having thieno[3,2-b] thiophene moieties statement regarding federally sponsored research or development XEROX CORPORATION 2007-05-17 US disclosed