SCHEMBL7654461

SCHEMBL7654461

NC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1N1C=C(Cl)C=C(Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.40
PDE4A P27815 14/20 0.40
PDE4C Q08493 14/20 0.40
PDE4D Q08499 14/20 0.40
ABCB11 O95342 1/20 0.37
PARP10 Q53GL7 3/20 0.35
PARP15 Q460N3 2/20 0.35

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
SCHEMBL6073147 0.73 PDE4D (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL4594035 0.73 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL16447382 0.68 PARP10 (0.58) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL5797239 0.67 PDE4D (0.49) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL28334010 0.67 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL15270511 0.65 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL31015999 0.63 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL5794099 0.62 PDE4D (0.65) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL4402862 0.61 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL2721695 0.61 PARP10 (0.56) PARP10PARP15

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-6498173-B1 TREATMENT OF DISEASES BASED ON ACUTE OR CHRONIC OBSTRUCTION OF VESSELS AND/OR BRONCHI AND/OR INFLAMMATION ALTANA PHARMA AG (DE) 2002-12-24 US disclosed