SCHEMBL11229645

SCHEMBL11229645

CCCCCCCCCc1cc2ccccc2cc1CCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.59
LIPG Q9Y5X9 1/20 0.55
KCNH2 Q12809 2/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR3 P46089 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45

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
SCHEMBL11227235 1.00 TLR8 (0.59) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL28046693 0.98 TLR8 (0.61) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL6661787 0.96 TLR8 (0.56) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL5010709 0.96 TLR8 (0.56) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL15345465 0.91 TLR8 (0.55) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL15345579 0.91 TLR8 (0.55) TLR8LIPGKCNH2MAPTMEN1
SCHEMBL5749320 0.89 TLR8 (0.50) TLR8LIPGMAPTMEN1TP53
SCHEMBL19583386 0.87 TLR8 (0.56) TLR8LIPGMEN1CYP3A4TYR
Ammonia Solution, Strong SCHEMBL27937817 0.87 TLR8 (0.51) TLR8LIPGKCNH2MAPTMEN1
Ammonia Solution, Strong SCHEMBL27937828 0.87 TLR8 (0.51) TLR8LIPGKCNH2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360514-A MOUTHWASHES, DENTIFRICES; ORAL DISEASES; CHEWING GUM; ANTIDEPOSIT AGENTS JOHNSON & JOHNSON PRODUCTS INC. (US) 1982-11-23 US disclosed