SCHEMBL18668604

SCHEMBL18668604

O=C(COc1c(F)cccc1F)COc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
KMT2A Q03164 3/20 0.42
CD69 Q07108 2/20 0.41
CTSH P09668 1/20 0.41
CTSK P43235 1/20 0.41
BCHE P06276 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6743196 0.85 KMT2A (0.60) KMT2ACD69
SCHEMBL22307832 0.84 HPGD (0.37) CES2CES1KMT2ACD69CTSH
SCHEMBL19983110 0.83 KMT2A (0.40) CES2CES1KMT2ACD69CTSH
SCHEMBL9722723 0.83 KMT2A (0.44) CES2CES1KMT2ACD69CTSH
SCHEMBL19983011 0.81 CTSK (0.47) KMT2ACTSHCTSKMEN1
SCHEMBL4832334 0.80 SMN1; SMN2 (0.43) KMT2AMEN1
SCHEMBL22307831 0.79 CTSH (0.45) CTSHCTSK
SCHEMBL6744989 0.77 NLRP3 (0.59) KMT2ANPC1MEN1RAB9AATM
SCHEMBL7172967 0.74 KMT2A (0.74) KMT2ACD69NPC1RAB9A
SCHEMBL3216951 0.74 MAPT (0.50) CES2CES1KMT2ACTSHCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469073-A1 COMPOUND FOR USE IN PREVENTING AND/OR TREATING AN INFECTION CAUSED BY SARS-COV-2 Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2024-12-04 EP disclosed
WO-2023139182-A1 COMPOUND FOR USE IN PREVENTING AND/OR TREATING AN INFECTION CAUSED BY SARS-COV-2 INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-27 WO disclosed
US-11523995-B2 Compositions and methods for ablating niche cells in testis and other epithelial cells and methods relating thereto DUKE UNIVERSITY (US) 2022-12-13 US disclosed
WO-2017053864-A1 CYSTEINE PROTEASE INHIBITORS INTRACELLULAR TECHNOLOGIES, LLC (US) 2017-03-30 WO disclosed