SCHEMBL29068556

SCHEMBL29068556

CS(=O)(=O)CCCOc1cc[c]cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.36
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
SCN9A Q15858 1/20 0.32
S1PR4 O95977 2/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
EGFR P00533 1/20 0.31
ITK Q08881 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 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
SCHEMBL160991 0.79 SMN1; SMN2 (0.45) MAPTTDP1L3MBTL1S1PR4HPGD
SCHEMBL27690976 0.78 SMN1; SMN2 (0.41) MAPTTDP1L3MBTL1HPGDTSHR
SCHEMBL161592 0.77 CSNK2A1 (0.47) MAPTL3MBTL1S1PR4PDE7ANPC1
SCHEMBL8116235 0.76 THRA (0.42) MAPTTDP1L3MBTL1HPGDTSHR
SCHEMBL22683443 0.76 L3MBTL1 (0.38) MAPTTDP1L3MBTL1S1PR4KCNH2
SCHEMBL4532814 0.76 L3MBTL1 (0.40) MAPTTDP1L3MBTL1S1PR4HPGD
SCHEMBL27869504 0.75 ALDH1A1 (0.44) MAPTTDP1PDE5APDE4DPDE7A
SCHEMBL27887600 0.74 ALDH1A1 (0.39) MAPTTDP1L3MBTL1S1PR4TSHR
SCHEMBL701745 0.74 IDO1 (0.36) MAPTTDP1L3MBTL1S1PR4PDE1A
SCHEMBL2251033 0.74 HTR2C (0.38) S1PR4PDE7AKCNH2

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
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