SCHEMBL9519002

SCHEMBL9519002

COc1ccc(CO)c(O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MCL1 Q07820 1/20 0.42
ERN1 O75460 2/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL9518445 0.83 IDO1 (0.41) ERN1ALOX5PTGS2MAPTKDM4E
SCHEMBL31359247 0.82 PTGDR2 (0.33) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL3467837 0.79 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL1832013 0.79 ERN1 (0.46) ERN1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL30829272 0.77 CA2 (0.47) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL30505690 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL147850 0.77 CA2 (0.47) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL31432590 0.75 HIF1A (0.53) ERN1ALOX5PTGS2MAPTKDM4E
SCHEMBL7674886 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL10557023 0.74 SHBG (0.39) PDCD1CD274KDM4EALDH1A1HSD17B10

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
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed