SCHEMBL4556628

SCHEMBL4556628

CC(C)(C)OC(=O)N(Br)c1ccc(OC(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
ADAM17 P78536 1/20 0.40
MT-CO2 P00403 1/20 0.37
MAPT P10636 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.34
DRD1 P21728 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1008034 0.78 MT-CO2 (0.39) MT-CO2MAPTATMMEN1KMT2A
SCHEMBL1007329 0.78 MT-CO2 (0.51) MT-CO2MAPTMEN1KMT2AALDH1A1
SCHEMBL4461545 0.71 ALDH1A1 (0.43) ALOX15GFERADAM17MAPTAPOBEC3A
SCHEMBL31255669 0.71 ALOX15 (0.40) ALOX15GFERADAM17MAPTAPOBEC3A
SCHEMBL4332370 0.70 ALDH1A1 (0.52) ALOX15GFERADAM17MAPTAPOBEC3A
SCHEMBL22746906 0.70 DAGLA (0.41) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL5755875 0.70 HPGD (0.44) ALDH1A1KDM4ERAB9AHDAC3HDAC1
SCHEMBL28039634 0.69 MAPK1 (0.36) ALOX15GFERADAM17MAPTAPOBEC3A
SCHEMBL1007280 0.69 HDAC1 (0.42) ALDH1A1KDM4ERAB9AHTTHDAC1
SCHEMBL10836381 0.68 ALOX15 (0.50) ALOX15GFERADAM17MAPTATM

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
WO-2009144632-A1 NOVEL COMPOUNDS PFIZER LIMITED (GB) 2009-12-03 WO disclosed