SCHEMBL28833280

SCHEMBL28833280

CS(=O)(=O)c1ccc(-c2ccccc2F)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
SCD O00767 2/20 0.47
FADS1 O60427 1/20 0.47
PTGS1 P23219 1/20 0.43
ENPP2 Q13822 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23693717 0.89 PTGS2 (0.46) PTGS2SCDFADS1ENPP2
SCHEMBL29886981 0.89 PTGS2 (0.46) PTGS2SCDFADS1ENPP2
SCHEMBL3875536 0.81 LMNA (0.53) PTGS2SCDFADS1
SCHEMBL4941551 0.78 PTGS2 (0.48) PTGS2SCDFADS1MEN1NPC1
SCHEMBL9206986 0.75 PTGS2 (0.73) PTGS2SCDFADS1PTGS1
SCHEMBL28022700 0.75 PTGS2 (0.51) PTGS2SCDFADS1
SCHEMBL8548523 0.75 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL355740 0.74 ENPP2 (0.50) PTGS2ENPP2
SCHEMBL309902 0.74 SCD (0.45) PTGS2SCDFADS1PTGS1ENPP2
SCHEMBL28971540 0.74 ALDH1A1 (0.43) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed