SCHEMBL22556748

SCHEMBL22556748

COc1ccc(Cl)c(-c2cnc(CSC(C)=O)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL29393427 1.00 S1PR4 (0.39) S1PR4HDAC1HDAC2HDAC3HDAC4
SCHEMBL29393398 0.86 ALDH1A1 (0.42) S1PR4MAPTMAPK1NPSR1ALDH1A1
SCHEMBL22556894 0.86 ALDH1A1 (0.42) S1PR4MAPTMAPK1NPSR1ALDH1A1
SCHEMBL22556730 0.80 HSP90AA1 (0.44) S1PR4HDAC1HDAC2HDAC3HDAC4
SCHEMBL29393842 0.80 HSP90AA1 (0.44) S1PR4HDAC1HDAC2HDAC3HDAC4
SCHEMBL27218647 0.74 RAB9A (0.40) MAPTMAPK1HTTLMNATSHR
SCHEMBL31494321 0.74 RAB9A (0.40) MAPTMAPK1HTTLMNATSHR
SCHEMBL27218843 0.74 HSP90AA1 (0.42) MAPTMAPK1HTTLMNATSHR
SCHEMBL27218737 0.72 HSP90AA1 (0.41) MAPTMAPK1HTTLMNATSHR
SCHEMBL22556717 0.72 HSP90AA1 (0.40) MAPTMAPK1HTTLMNATSHR

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-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
EP-3956323-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Gbiotech S.À.R.L. (CH) 2022-02-23 EP disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed