SCHEMBL31037147

SCHEMBL31037147

FC(F)COc1cccc(C(F)(F)F)c1-c1ccccc1S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
PPARG P37231 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HSD11B1 P28845 1/20 0.32
AR P10275 1/20 0.32
KCNA3 P22001 1/20 0.31
CYP2D6 P10635 3/20 0.31
TSHR P16473 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 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
SCHEMBL31037151 0.89 RXRA (0.35) PDK2SCN1ASCN5ASCN9AMRGPRX4
SCHEMBL31037145 0.80 MRGPRX4 (0.34) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL28219895 0.80 RXRA (0.46) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL28594168 0.75 TAAR1 (0.35) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL31037148 0.74 MRGPRX4 (0.37) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL31037150 0.74 MRGPRX4 (0.37) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL28046559 0.72 RXRA (0.43) SCN1ASCN5ASCN9AMRGPRX4PPARG
SCHEMBL19756388 0.72 MAPT (0.37) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL28769171 0.71 GRK3 (0.33) MRGPRX4PPARGRXRARXRBRXRG
SCHEMBL28594170 0.71 TAAR1 (0.34) SCN1ASCN5ASCN9AMRGPRX4PPARG

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