SCHEMBL9821609

SCHEMBL9821609

C=CCc1[nH]ccc1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
THRB P10828 7/20 0.35
THRA P10827 6/20 0.35
LIPG Q9Y5X9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TYR P14679 2/20 0.33
TSHR P16473 2/20 0.33
ALOX5 P09917 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL82799 0.82 GPR84 (0.46) GPR84LIPGMEN1KMT2ATYR
SCHEMBL29405184 0.80 GPR84 (0.49) GPR84LIPGMEN1KMT2ATYR
SCHEMBL28171089 0.80 GPR84 (0.49) GPR84LIPGMEN1KMT2ATYR
SCHEMBL28843604 0.80 GPR84 (0.49) GPR84LIPGMEN1KMT2ATYR
SCHEMBL9784830 0.80 GPR84 (0.49) GPR84LIPGMEN1KMT2ATYR
Bromide SCHEMBL28837169 0.80 CNR2 (0.33) GPR84THRBTHRA
SCHEMBL28253637 0.79 GPR84 (0.47) GPR84LIPGMEN1KMT2ATYR
Bromide SCHEMBL31310734 0.79 GPR84 (0.47) GPR84LIPGMEN1KMT2ATYR
SCHEMBL1655686 0.78 GABRA1 (0.36)
Hydrochloric Acid SCHEMBL27870284 0.76 GABRA1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028585-B Arylalkylazole derivative and application thereof 聊城大学 2023-08-18 CN claimed
CN-115028585-A Arylalkanazole derivatives and use thereof 聊城大学 2022-09-09 CN disclosed
CN-115028585-A Arylalkanazole derivatives and use thereof 聊城大学 2022-09-09 CN disclosed
EP-0430194-A2 Aryl-alkyl-azoles substituted with many times unsaturated groups, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP disclosed
EP-0430194-A2 Aryl-alkyl-azoles substituted with many times unsaturated groups, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP disclosed