SCHEMBL1469842

SCHEMBL1469842

CCC/C=C/c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
SMPD2 O60906 2/20 0.49
CHAT P28329 5/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RXRA P19793 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1469843 1.00 TLR8 (0.50) TLR8SMPD2CHATMTNR1AMTNR1B
SCHEMBL1468842 0.89 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1468841 0.89 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469797 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469800 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL6439610 0.88 CHAT (0.55) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1612562 0.86 CHAT (0.57) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL615455 0.85 SMPD2 (0.51) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL615456 0.85 SMPD2 (0.51) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469921 0.84 TLR8 (0.50) TLR8SMPD2CHATMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202832-B1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL SHINETSU CHEMICAL CO (JP) 2011-11-02 EP disclosed
US-20110070523-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-03-24 US disclosed
EP-2202832-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL Shin-Etsu Chemical Co., Ltd. (JP) 2010-06-30 EP disclosed