SCHEMBL8890123

SCHEMBL8890123

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.74
PDE4D Q08499 9/20 0.74
PDE4A P27815 6/20 0.74
PDE4C Q08493 6/20 0.74
CYP2B6 P20813 1/20 0.67
CNR2 P34972 1/20 0.57
NOX1 Q9Y5S8 1/20 0.54
F10 P00742 2/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCB11 O95342 1/20 0.50

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
SCHEMBL8892506 0.95 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889648 0.92 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8888686 0.90 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889809 0.89 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL985307 0.86 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL6878175 0.86 PDE4B (0.85) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890369 0.86 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8891655 0.85 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL6948901 0.85 PDE4B (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890135 0.85 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CCYP2B6

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 claimed