SCHEMBL9766396

SCHEMBL9766396

CCCCCCCCc1cc(Cc2cc(CCCCCCCC)c(N)c(CCCCCCCC)c2)cc(CCCCCCCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.43
PTGS2 P35354 3/20 0.42
HTR2A P28223 2/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL5377737 1.00 TLR8 (0.43) TLR8PTGS2HTR2ACYP3A4TP53
SCHEMBL5372853 0.98 TLR8 (0.41) TLR8PTGS2HTR2ACYP3A4TP53
SCHEMBL831156 0.92 SKP2 (0.41) TLR8TYRHTT
SCHEMBL14003767 0.90 PTGS2 (0.53) TLR8PTGS2HTR2ACYP3A4TP53
SCHEMBL5377222 0.88 SKP2 (0.39) TLR8TYRHTT
SCHEMBL3945176 0.86 POLB (0.40) TLR8TYRHTT
SCHEMBL3937871 0.86 POLB (0.40) TLR8TYRHTT
SCHEMBL7549595 0.83 SKP2 (0.47) TLR8CYP3A4TP53MAPTTYR
SCHEMBL1100124 0.83 DHFR (0.41) HTTSHBG
SCHEMBL174991 0.81 TLR8 (0.43) TLR8PTGS2HTR2ACYP3A4TP53

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-5037862-A Excellent mechanical stability in printing HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed