SCHEMBL3672877

SCHEMBL3672877

CCCc1c(S)cccc1CCCCN

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.43
MAOA P21397 1/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
LIPG Q9Y5X9 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL3671144 0.88 TAAR1 (0.42)
SCHEMBL3670351 0.87 TLR8 (0.43) TLR8MPOSLC6A4LIPGALOX5
SCHEMBL8517749 0.84 KDM4E (0.35) ALOX5PTGS2LTB4RLTB4R2
SCHEMBL3769573 0.82 LIPG (0.46) LIPGALOX5PTGS2
SCHEMBL3668720 0.81 TAAR1 (0.44) TLR8
SCHEMBL8517160 0.81 LIPG (0.49) LIPGALOX5PTGS2
SCHEMBL8518028 0.81 LIPG (0.49) LIPGALOX5PTGS2
SCHEMBL8517066 0.81 LIPG (0.49) LIPGALOX5PTGS2
SCHEMBL8517192 0.81 LIPG (0.49) LIPGALOX5PTGS2
SCHEMBL8517004 0.81 LIPG (0.49) LIPGALOX5PTGS2

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
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed