Sugi Predict

Sugi Predict / Compounds / SCHEMBL7911732

SCHEMBL7911732

SCHEMBL7911732

CCOC(=O)C(c1ccncc1)C(c1ccc(N(C(=O)OCc2ccccc2)C(C)(C)c2ccccc2)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.39
▸ KCNH2 Q12809 2/20 0.39

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
SCHEMBL7906674 0.85 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7899038 0.83 PDE4A (0.50) PDE4AKCNH2
SCHEMBL7908333 0.81 PDE4A (0.49) PDE4AKCNH2
SCHEMBL7899076 0.79 PDE4A (0.48) PDE4AKCNH2
SCHEMBL7899057 0.78 PDE4A (0.43) PDE4AKCNH2
SCHEMBL7899112 0.77 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7908336 0.76 PDE4A (0.38) PDE4AKCNH2
SCHEMBL7904298 0.75 PDE4A (0.43) PDE4A
SCHEMBL7916558 0.75 PDE4A (0.63) PDE4AKCNH2
SCHEMBL7911687 0.74 PDE4A (0.63) PDE4AKCNH2

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-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 — — US disclosed