SCHEMBL8889907

SCHEMBL8889907

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1COCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.64
PDE4A P27815 14/20 0.57
PDE4B Q07343 14/20 0.57
PDE4C Q08493 14/20 0.57
CYP2B6 P20813 1/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8891532 0.88 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8888978 0.87 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889824 0.86 PDE4B (0.71) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889614 0.85 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8891152 0.85 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889779 0.82 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889648 0.80 PDE4B (0.74) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890987 0.79 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL15270505 0.79 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890369 0.78 PDE4B (0.74) PDE4DPDE4APDE4BPDE4CCYP2B6

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed