SCHEMBL28448333

SCHEMBL28448333

c1ccc(CCCCC[SiH2]O[SiH2]CCCCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
MAOA P21397 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 2/20 0.47
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28446208 0.98 MAOA (0.50) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL28444045 0.91 IDO1 (0.48) SIGMAR1MAOAMAOBIDO1L3MBTL1
SCHEMBL624547 0.82 MAOA (0.47) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL2823250 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL8095284 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL6546948 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL8085946 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL1226782 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL8096690 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL676854 0.79 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB

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-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed