SCHEMBL8670404

SCHEMBL8670404

CCCCc1cccc([O])c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.41
CYSLTR1 Q9Y271 7/20 0.41
TLR8 Q9NR97 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8087736 0.88 TLR8 (0.43) CYSLTR2CYSLTR1TLR8BIDMCL1
SCHEMBL8099594 0.83 LIPG (0.49) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL1005447 0.83 BID (0.40) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL8096674 0.81 LIPG (0.51) CYSLTR2CYSLTR1TLR8BIDMCL1
SCHEMBL8101482 0.81 LIPG (0.51) CYSLTR2CYSLTR1TLR8BIDMCL1
SCHEMBL8095518 0.81 TLR8 (0.44) CYSLTR2CYSLTR1TLR8LMNAHTT
SCHEMBL8095441 0.81 LIPG (0.51) CYSLTR2CYSLTR1TLR8BIDMCL1
SCHEMBL28023181 0.81 LIPG (0.38) CYSLTR2CYSLTR1TLR8BIDMCL1
SCHEMBL11237338 0.81 SIGMAR1 (0.40) CYSLTR2CYSLTR1TLR8LMNAHTT
SCHEMBL9845811 0.81 HSP90AA1 (0.49) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed