SCHEMBL8187111

SCHEMBL8187111

CCCOC(=O)c1nc2ccnn2c(Cl)c1CCCl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.44
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.34
TARBP2 Q15633 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
JMJD6 Q6NYC1 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8175915 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8192375 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8187093 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8177267 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8205255 0.81 PDE10A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL28790784 0.75 PDE4A (0.59) PDE4AALDH1A1TARBP2GABRA2GABRB2
SCHEMBL12126901 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8191475 0.72 PDE10A (0.42)
SCHEMBL8185998 0.71 PDE10A (0.41)
SCHEMBL4330898 0.70 PDE4A (0.59) PDE4APDE4BALDH1A1TARBP2GABRA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed
US-5942515-A RESPIRATORY SYSTEM DISORDERS POLA CHEMICAL INDUSTRIES, INC. (JP) 1999-08-24 US disclosed