SCHEMBL31037151

SCHEMBL31037151

FC(F)COc1cccc(S)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SCN9A Q15858 2/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
PDK2 Q15119 2/20 0.35
HSD11B1 P28845 2/20 0.35
CYP2D6 P10635 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
TRPA1 O75762 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 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
SCHEMBL31037147 0.89 PDK2 (0.36) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL31037145 0.80 MRGPRX4 (0.34) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL28219895 0.80 RXRA (0.46) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL28594168 0.75 TAAR1 (0.35) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL31037150 0.74 MRGPRX4 (0.37) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL31037148 0.74 MRGPRX4 (0.37) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL28046559 0.72 RXRA (0.43) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL19756388 0.72 MAPT (0.37) RXRARXRBRXRGHSD11B1CYP2D6
SCHEMBL28874122 0.71 MRGPRX4 (0.35) RXRARXRBRXRGSCN9ASCN1A
SCHEMBL28594170 0.71 TAAR1 (0.34) RXRARXRBRXRGSCN9ASCN1A

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