SCHEMBL8087736

SCHEMBL8087736

CCCCc1cccc(CCCC)c1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.43
LIPG Q9Y5X9 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39

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
SCHEMBL8099594 0.94 LIPG (0.49) TLR8LIPGSIGMAR1BIDMCL1
SCHEMBL8096674 0.93 LIPG (0.51) TLR8LIPGCYSLTR2CYSLTR1BID
SCHEMBL8101482 0.93 LIPG (0.51) TLR8LIPGCYSLTR2CYSLTR1BID
SCHEMBL8095441 0.93 LIPG (0.51) TLR8LIPGCYSLTR2CYSLTR1BID
SCHEMBL8095518 0.89 TLR8 (0.44) TLR8LIPGSIGMAR1HTR2ALMNA
SCHEMBL8096435 0.88 CALM1 (0.44) TLR8SIGMAR1HTR2ALMNAHTT
SCHEMBL8670404 0.88 CYSLTR2 (0.41) TLR8LMNAHTTCYSLTR2CYSLTR1
SCHEMBL9845811 0.88 HSP90AA1 (0.49) BIDMCL1BCL2L1BAK1
SCHEMBL11237338 0.88 SIGMAR1 (0.40) TLR8LIPGSIGMAR1HTR2ALMNA
SCHEMBL28023181 0.85 LIPG (0.38) TLR8LIPGSIGMAR1LMNAHTT

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed