SCHEMBL31037149

SCHEMBL31037149

O=S(=O)(Oc1c(OCC(F)F)cccc1C(F)(F)F)c1ccccc1.[Na]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PPARG P37231 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
EDNRA P25101 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL28046559 0.76 RXRA (0.43) HTR1AHTR7MRGPRX4SLC22A12PPARG
SCHEMBL15453622 0.75 ALDH1A1 (0.53) METAP2METAP1ALDH1A1HTR1AHTR7
SCHEMBL28219895 0.74 RXRA (0.46) MRGPRX4SLC22A12PPARGRXRARXRB
SCHEMBL27512101 0.74 ALPL (0.40) METAP2METAP1ALDH1A1TDP1CYP1A2
SCHEMBL31037153 0.74 SLC22A12 (0.35) HTR1AHTR7MRGPRX4SLC22A12PPARG
SCHEMBL29115260 0.72 SLC22A12 (0.36) MRGPRX4SLC22A12PPARGRXRARXRB
SCHEMBL4394385 0.72 SLC22A12 (0.36) HTR1AHTR7MRGPRX4SLC22A12PPARG
SCHEMBL30130262 0.72 MRGPRX4 (0.36) MRGPRX4SLC22A12PPARGRXRARXRB
SCHEMBL29431092 0.72 SLC22A12 (0.36) HTR1AHTR7MRGPRX4SLC22A12PPARG
SCHEMBL30839044 0.72 SLC22A12 (0.36) MRGPRX4SLC22A12PPARGRXRARXRB

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-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