SCHEMBL8095162

SCHEMBL8095162

CCCCCc1cccc(Cc2ccccc2)c1CCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.49
LIPG Q9Y5X9 1/20 0.46
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8102396 0.98 LIPG (0.49) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8100321 0.98 LIPG (0.49) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8087327 0.98 LIPG (0.49) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8095518 0.95 TLR8 (0.44) TLR8LIPGCYSLTR2CYSLTR1SIGMAR1
Phenol SCHEMBL28176922 0.91 BID (0.47) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8099594 0.89 LIPG (0.49) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL29144403 0.89 LIPG (0.46) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8095441 0.88 LIPG (0.51) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8096674 0.88 LIPG (0.51) TLR8LIPGBIDMCL1BCL2L1
SCHEMBL8101482 0.88 LIPG (0.51) TLR8LIPGBIDMCL1BCL2L1

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