SCHEMBL8890618

SCHEMBL8890618

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1-c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.66
PDE4A P27815 11/20 0.56
PDE4B Q07343 11/20 0.56
PDE4C Q08493 11/20 0.56
CYP2B6 P20813 1/20 0.55
GFER P55789 1/20 0.47
LCLAT1 Q6UWP7 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL8889523 0.82 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL15270505 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890532 0.79 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889534 0.79 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889573 0.79 PDE4B (0.70) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890076 0.79 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL30614194 0.78 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL2908650 0.78 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL6874729 0.78 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889395 0.78 PDE4D (0.65) 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 claimed