SCHEMBL7866906

SCHEMBL7866906

COC1(OC)CCC(CNO)(c2ccc(OC(F)F)c(OC(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
PDE4B Q07343 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 6/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL7866876 0.84 SLC6A4 (0.47) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL7460382 0.82 PDE4A (0.44) CASP1TSHRGAAPDE4BMEN1
SCHEMBL7866744 0.73 PDE4B (0.46) TSHRPDE4BPDE4AHTTPDE4C
SCHEMBL7869820 0.73 PDE4A (0.47) PDE4BKMT2APDE4APDE4CPDE4D
SCHEMBL26921463 0.67 SLC6A4 (0.58) CASP1TSHRGAAPDE4BPDE4A
SCHEMBL7416563 0.65 SLC6A4 (0.49) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL35210483 0.63 CASP1 (0.62) CASP1TSHRGAAMEN1KMT2A
SCHEMBL7858785 0.63 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7858810 0.63 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7420776 0.61 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D

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
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed