SCHEMBL31037145

SCHEMBL31037145

FC(F)COc1cccc(C(F)(F)F)c1S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.34
PPARG P37231 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
IDO1 P14902 2/20 0.32
SLC22A12 Q96S37 1/20 0.31
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRK3 P35626 1/20 0.31
LTA4H P09960 1/20 0.31
PTGS2 P35354 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL28219895 0.82 RXRA (0.46) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL28594168 0.81 TAAR1 (0.35) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL31037147 0.80 PDK2 (0.36) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL31037151 0.80 RXRA (0.35) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL31037150 0.80 MRGPRX4 (0.37) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL31037148 0.80 MRGPRX4 (0.37) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL31037146 0.79 KCNK3 (0.46) MRGPRX4RXRARXRBRXRGKCNK3
SCHEMBL19756388 0.78 MAPT (0.37) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL28340452 0.77 PIM1 (0.40) MRGPRX4RXRARXRBRXRGIDO1
SCHEMBL28594170 0.76 TAAR1 (0.34) MRGPRX4PPARGRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459382-A Synthesis method of sulfhydryl phenyl ether compound 上海泰初化工技术有限公司 2024-08-09 CN claimed
CN-118459382-A Synthesis method of sulfhydryl phenyl ether compound 上海泰初化工技术有限公司 2024-08-09 CN disclosed
CN-118459382-A Synthesis method of sulfhydryl phenyl ether compound 上海泰初化工技术有限公司 2024-08-09 CN disclosed