SCHEMBL1469816

SCHEMBL1469816

CCCC/C=C/c1cccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.42
TLR8 Q9NR97 1/20 0.41
CHAT P28329 1/20 0.40
OXER1 Q8TDS5 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
SMPD2 O60906 1/20 0.35
NPC1 O15118 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
SCHEMBL1469818 1.00 PDE5A (0.42) PDE5ATLR8CHATOXER1MEN1
SCHEMBL1469093 0.95 CHAT (0.42) PDE5ATLR8CHATOXER1MEN1
SCHEMBL1469095 0.95 CHAT (0.42) PDE5ATLR8CHATOXER1MEN1
SCHEMBL1611242 0.94 CHAT (0.44) PDE5ATLR8CHATOXER1MEN1
SCHEMBL28591432 0.93 CHAT (0.43) PDE5ATLR8CHATOXER1MEN1
SCHEMBL1469922 0.90 TLR8 (0.50) TLR8CHATMEN1KMT2AMITF
SCHEMBL1469921 0.90 TLR8 (0.50) TLR8CHATMEN1KMT2AMITF
SCHEMBL1468841 0.85 CHAT (0.52) CHATSMPD2CNR1PTGS1PTGS2
SCHEMBL1468842 0.85 CHAT (0.52) CHATSMPD2CNR1PTGS1PTGS2
SCHEMBL304213 0.84 ALDH1A1 (0.39) CHATMEN1KMT2AMITFALDH1A1

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