SCHEMBL9850477

SCHEMBL9850477

CCCCCSc1cccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
TLR8 Q9NR97 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
EPHX2 P34913 1/20 0.38
SOAT1 P35610 8/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL9017764 0.88 TLR8 (0.49) PTGS2TLR8SOAT1CNR2MAPT
SCHEMBL6835641 0.88 PTGS2 (0.41) PTGS2TLR8MAPT
SCHEMBL18758015 0.85 PTGS2 (0.49) PTGS2TLR8CYSLTR2CYSLTR1EPHX2
SCHEMBL30417186 0.85 PTGS2 (0.49) PTGS2TLR8CYSLTR2CYSLTR1EPHX2
SCHEMBL5316461 0.83 PTGS2 (0.50) PTGS2TLR8CYSLTR2CYSLTR1EPHX2
SCHEMBL25738323 0.83 PTGS2 (0.50) PTGS2TLR8CYSLTR2CYSLTR1EPHX2
SCHEMBL29056062 0.82 PTGS2 (0.38) PTGS2TLR8MAPT
SCHEMBL28407380 0.82 KDM4E (0.38) PTGS2TLR8MAPT
SCHEMBL20678469 0.81 TLR8 (0.53) PTGS2TLR8CYSLTR2CYSLTR1EPHX2
SCHEMBL2607673 0.80 TLR8 (0.50) PTGS2TLR8CNR2MAPT

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
CN-101155896-B Organic electroluminescent device MERCK PATENT GMBH 2012-08-29 CN disclosed
EP-0451735-A2 Improved elastomeric layer for multilayer tonable photosensitive elements E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP disclosed