SCHEMBL8081887

SCHEMBL8081887

Cc1c(CO)oc2c(Br)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
MCL1 Q07820 1/20 0.36
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
CSNK2A1 P68400 1/20 0.32
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL8507588 0.87 LOXL2 (0.37) LOXL2MCL1ALOX5KDM4EALDH1A1
SCHEMBL8037995 0.84 LOXL2 (0.40) LOXL2MCL1ALOX5ALDH1A1MAOA
SCHEMBL8038421 0.76 LOXL2 (0.40) LOXL2MCL1KDM4EALDH1A1GAA
SCHEMBL2089679 0.76 LOXL2 (0.40) LOXL2MCL1KDM4EALDH1A1GAA
SCHEMBL26244767 0.75 ALDH1A1 (0.32) KDM4EALDH1A1GAAHTTHPGD
SCHEMBL23532166 0.74 TTR (0.42) PDCD1CD274ALOX5KDM4EALDH1A1
SCHEMBL27185500 0.73 SIRT2 (0.42) MCL1ALDH1A1MAOAMAOBMEN1
SCHEMBL21230524 0.72 ALDH1A1 (0.37) ALOX5KDM4EALDH1A1HTTMAOA
SCHEMBL2256874 0.71 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HTTMAOA
SCHEMBL1855422 0.70 GPR52 (0.53) MAOBKMT2ANPC1RAB9A

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
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed