SCHEMBL4286105

SCHEMBL4286105

Cc1cccc(C2CCCCC2)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
HTR2C P28335 4/20 0.39
EPHX1 P07099 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HTR6 P50406 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CEL P19835 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL2758377 0.88 PTGS2 (0.44) PTGS2PTGDR2LMNAHTTCEL
SCHEMBL1924933 0.86 PTGS2 (0.43) PTGS2PTGDR2LMNAHTTCEL
SCHEMBL1531218 0.84 PTGS2 (0.42) PTGS2HTR2C
SCHEMBL29469840 0.82 HTR2C (0.40) PTGS2HTR2CHTR6
SCHEMBL28035679 0.77 PTGS2 (0.42) PTGS2HTR2CPTGDR2HTR6LMNA
SCHEMBL9101398 0.76 HSP90AA1 (0.43) PTGS2LMNAMAPTHTTSMN1; SMN2
SCHEMBL2758450 0.75 CYP1B1 (0.41) PTGS2EPHX1RAB9AMAPTSMN1; SMN2
SCHEMBL15189417 0.75 PTGS2 (0.38) PTGS2PTGDR2HTR6CEL
SCHEMBL2758415 0.75 PTGS2 (0.35) PTGS2PTGDR2HTR6LMNAHTT
SCHEMBL2758420 0.75 NR1I2 (0.42) PTGS2PTGDR2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090104560-A1 BARRIER FILM MATERIAL AND PATTERN FORMATION METHOD PANASONIC CORPORATION (JP) 2009-04-23 US claimed
EP-2834308-A2 BENZOXAZINE RESIN COMPOSITION, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2015-02-11 EP disclosed
WO-2014004900-A2 BENZOXAZINE RESIN COMPOSITION, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY COMPOSITES (AMERICA), INC. (US) 2014-01-03 WO disclosed
US-20090104560-A1 BARRIER FILM MATERIAL AND PATTERN FORMATION METHOD PANASONIC CORPORATION (JP) 2009-04-23 US disclosed