SCHEMBL339685

SCHEMBL339685

CCCCCCCCCCCCCCCCCCc1ccccc1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.58
TLR8 Q9NR97 4/20 0.51
HTR2A P28223 2/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 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
SCHEMBL15345426 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL391576 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL394552 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL395307 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL15345441 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL393622 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
SCHEMBL4091742 1.00 LIPG (0.58) LIPGTLR8HTR2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL17260174 0.98 LIPG (0.56) LIPGTLR8HTR2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL15821800 0.98 LIPG (0.56) LIPGTLR8HTR2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL17260158 0.98 LIPG (0.56) LIPGTLR8HTR2ANR1H2NR1H3

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-8097602-B1 Method of treating body insect infestation HOST PHARMACEUTICALS, LLC (US) 2012-01-17 US disclosed