SCHEMBL14831761

SCHEMBL14831761

CCCCn1c(C)nc2cccc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CDK9 P50750 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL29617936 0.83 CDK9 (0.46) TLR8ALDH1A1MAPTHPGDMAPK1
SCHEMBL1022300 0.74 TLR8 (0.69) TLR8TSHRSMN1; SMN2TP53LMNA
SCHEMBL8123776 0.72 PRMT5 (0.49) TLR8ALDH1A1MAPTMAPK1TSHR
Trifluoromethanesulfonic Acid SCHEMBL28491100 0.69 TSHR (0.63) TLR8ALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL9274775 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL20242949 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL2943250 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL17053182 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL31066882 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL31066875 0.69 TLR8 (0.70) TLR8ALDH1A1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978749-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'Oréal (FR) 2016-02-03 — — EP disclosed
WO-2014155016-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'OREAL (FR) 2014-10-02 — — WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
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