SCHEMBL7960558

SCHEMBL7960558

COc1ccc(C(C#N)C(O)c2cccs2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.46
PDE4B Q07343 8/20 0.46
PDE4D Q08499 7/20 0.46
PDE4C Q08493 6/20 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
SCHEMBL7319448 0.84 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL6583750 0.82 PDE4A (0.58) PDE4APDE4BPDE4DPDE4C
SCHEMBL8574011 0.78 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL11428703 0.78 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL8590946 0.75 PDE4A (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL7322576 0.74 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL7325901 0.73 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL7042502 0.73 PDE4A (0.76) PDE4APDE4BPDE4DPDE4C
SCHEMBL6585871 0.72 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C
SCHEMBL8483975 0.72 PDE4A (0.66) PDE4APDE4BPDE4DPDE4C

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
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed